3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide

C18H26N4O2 — CID 119410579

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)N3CC[C@@H](N)C3)C2)c1
InChIInChI=1S/C18H26N4O2/c1-13-4-2-6-16(10-13)20-18(24)22-8-3-5-14(11-22)17(23)21-9-7-15(19)12-21/h2,4,6,10,14-15H,3,5,7-9,11-12,19H2,1H3,(H,20,24)/t14?,15-/m1/s1
InChIKeyHIEWJMQTHSIROY-YSSOQSIOSA-N
MW330.43 g/mol
LogP1.80
Rot. Bonds2

About 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 119410579) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID119410579
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)N3CC[C@@H](N)C3)C2)c1
InChIInChI=1S/C18H26N4O2/c1-13-4-2-6-16(10-13)20-18(24)22-8-3-5-14(11-22)17(23)21-9-7-15(19)12-21/h2,4,6,10,14-15H,3,5,7-9,11-12,19H2,1H3,(H,20,24)/t14?,15-/m1/s1
InChIKeyHIEWJMQTHSIROY-YSSOQSIOSA-N
XLogP1.80
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide
CID 164946130
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 119410579) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)N3CC[C@@H](N)C3)C2)c1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is HIEWJMQTHSIROY-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-4-2-6-16(10-13)20-18(24)22-8-3-5-14(11-22)17(23)21-9-7-15(19)12-21/h2,4,6,10,14-15H,3,5,7-9,11-12,19H2,1H3,(H,20,24)/t14?,15-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 119410579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).