N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide

C21H30N4O2 — CID 127596134

IUPACN-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
SMILESCN1CCCC1C(=O)N1CCN(C(=O)NCC2CCc3ccccc32)CC1
InChIInChI=1S/C21H30N4O2/c1-23-10-4-7-19(23)20(26)24-11-13-25(14-12-24)21(27)22-15-17-9-8-16-5-2-3-6-18(16)17/h2-3,5-6,17,19H,4,7-15H2,1H3,(H,22,27)
InChIKeyBQHUCFNXGKWVBS-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.66
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide

N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide (PubChem CID 127596134) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
PubChem CID127596134
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
SMILESCN1CCCC1C(=O)N1CCN(C(=O)NCC2CCc3ccccc32)CC1
InChIInChI=1S/C21H30N4O2/c1-23-10-4-7-19(23)20(26)24-11-13-25(14-12-24)21(27)22-15-17-9-8-16-5-2-3-6-18(16)17/h2-3,5-6,17,19H,4,7-15H2,1H3,(H,22,27)
InChIKeyBQHUCFNXGKWVBS-UHFFFAOYSA-N
XLogP1.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
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CID 138044085
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide
CID 166207325
(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 51942286
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
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CID 163403262
methyl (2S)-1-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 70047932
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide (CID 127596134) is N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide is CN1CCCC1C(=O)N1CCN(C(=O)NCC2CCc3ccccc32)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is BQHUCFNXGKWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23-10-4-7-19(23)20(26)24-11-13-25(14-12-24)21(27)22-15-17-9-8-16-5-2-3-6-18(16)17/h2-3,5-6,17,19H,4,7-15H2,1H3,(H,22,27).
What are the key properties of N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 127596134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).