N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C30H48N6O — CID 146395152

IUPACN-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CC(C3CC/C=C\CCC3)CC(N3CCC(NCCN)CC3)N1)C2
InChIInChI=1S/C30H48N6O/c1-21-8-7-11-23-18-26(33-29(21)23)30(37)35-27-19-24(22-9-5-3-2-4-6-10-22)20-28(34-27)36-16-12-25(13-17-36)32-15-14-31/h2-3,7-8,11,22,24-28,32-34H,4-6,9-10,12-20,31H2,1H3,(H,35,37)/b3-2-
InChIKeyPGINTQDMQXSTJF-IHWYPQMZSA-N
MW508.76 g/mol
LogP3.25
Rot. Bonds7

About N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395152) has the molecular formula C30H48N6O and a molecular weight of 508.76 g/mol. Its IUPAC name is N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395152
Molecular FormulaC30H48N6O
Molecular Weight508.76 g/mol
Exact Mass508.39
IUPAC NameN-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CC(C3CC/C=C\CCC3)CC(N3CCC(NCCN)CC3)N1)C2
InChIInChI=1S/C30H48N6O/c1-21-8-7-11-23-18-26(33-29(21)23)30(37)35-27-19-24(22-9-5-3-2-4-6-10-22)20-28(34-27)36-16-12-25(13-17-36)32-15-14-31/h2-3,7-8,11,22,24-28,32-34H,4-6,9-10,12-20,31H2,1H3,(H,35,37)/b3-2-
InChIKeyPGINTQDMQXSTJF-IHWYPQMZSA-N
XLogP3.25
TPSA94.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.76
LogP ≤ 53.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
CID 146395501
7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395012
7-methyl-N-[4-[(2-piperidin-3-ylacetyl)amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644503
N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394587
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
4-fluoro-7-methyl-N-[(1R,3S)-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395082
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 146395282
N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394841
4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394676

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146395152) is N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC1CC(C3CC/C=C\CCC3)CC(N3CCC(NCCN)CC3)N1)C2.
What is the InChIKey of N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PGINTQDMQXSTJF-IHWYPQMZSA-N. The full InChI is InChI=1S/C30H48N6O/c1-21-8-7-11-23-18-26(33-29(21)23)30(37)35-27-19-24(22-9-5-3-2-4-6-10-22)20-28(34-27)36-16-12-25(13-17-36)32-15-14-31/h2-3,7-8,11,22,24-28,32-34H,4-6,9-10,12-20,31H2,1H3,(H,35,37)/b3-2-.
What are the key properties of N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 508.76 g/mol, XLogP of 3.25, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).