N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C22H27N5O2 — CID 146394587

IUPACN-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)Nc1cccc(N3CCN(C(=O)CN)CC3)c1)C2
InChIInChI=1S/C22H27N5O2/c1-15-4-2-5-16-12-19(25-21(15)16)22(29)24-17-6-3-7-18(13-17)26-8-10-27(11-9-26)20(28)14-23/h2-7,13,19,25H,8-12,14,23H2,1H3,(H,24,29)
InChIKeyDDAYUTBMDXXQJV-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.58
Rot. Bonds4

About N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394587) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394587
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)Nc1cccc(N3CCN(C(=O)CN)CC3)c1)C2
InChIInChI=1S/C22H27N5O2/c1-15-4-2-5-16-12-19(25-21(15)16)22(29)24-17-6-3-7-18(13-17)26-8-10-27(11-9-26)20(28)14-23/h2-7,13,19,25H,8-12,14,23H2,1H3,(H,24,29)
InChIKeyDDAYUTBMDXXQJV-UHFFFAOYSA-N
XLogP1.58
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
CID 146395501
N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643349
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395048
7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395128
N-[3-[1-(2,2-difluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394826
7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644417
2-amino-1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]ethanone
CID 82124959
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-[3-[(3S,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395557

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394587) is N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)Nc1cccc(N3CCN(C(=O)CN)CC3)c1)C2.
What is the InChIKey of N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is DDAYUTBMDXXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-4-2-5-16-12-19(25-21(15)16)22(29)24-17-6-3-7-18(13-17)26-8-10-27(11-9-26)20(28)14-23/h2-7,13,19,25H,8-12,14,23H2,1H3,(H,24,29).
What are the key properties of N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).