N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide

C17H31N3O — CID 107418457

IUPACN-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCC1CCCC1CNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H31N3O/c1-13-4-2-5-14(13)12-19-17(21)16-6-3-11-20(16)15-7-9-18-10-8-15/h13-16,18H,2-12H2,1H3,(H,19,21)
InChIKeyPPPHRXWQWUNOKN-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.76
Rot. Bonds4

About N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 107418457) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID107418457
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCC1CCCC1CNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H31N3O/c1-13-4-2-5-14(13)12-19-17(21)16-6-3-11-20(16)15-7-9-18-10-8-15/h13-16,18H,2-12H2,1H3,(H,19,21)
InChIKeyPPPHRXWQWUNOKN-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 115360278
1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
N-(2-ethoxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 54906386
N-(5-hydroxypentyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107317753
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
N-(2-methyl-3-methylsulfanylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 63959744
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 107418457) is N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide is CC1CCCC1CNC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is PPPHRXWQWUNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-4-2-5-14(13)12-19-17(21)16-6-3-11-20(16)15-7-9-18-10-8-15/h13-16,18H,2-12H2,1H3,(H,19,21).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107418457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).