N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H29N5O — CID 120937895

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2(n3cccn3)CCNCC2)CCCC1
InChIInChI=1S/C17H29N5O/c1-21(2)16(6-3-4-7-16)14-19-15(23)17(8-11-18-12-9-17)22-13-5-10-20-22/h5,10,13,18H,3-4,6-9,11-12,14H2,1-2H3,(H,19,23)
InChIKeySYOOMXZJYXDFGT-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.95
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120937895) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120937895
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2(n3cccn3)CCNCC2)CCCC1
InChIInChI=1S/C17H29N5O/c1-21(2)16(6-3-4-7-16)14-19-15(23)17(8-11-18-12-9-17)22-13-5-10-20-22/h5,10,13,18H,3-4,6-9,11-12,14H2,1-2H3,(H,19,23)
InChIKeySYOOMXZJYXDFGT-UHFFFAOYSA-N
XLogP0.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120937895) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(C)C1(CNC(=O)C2(n3cccn3)CCNCC2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is SYOOMXZJYXDFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-21(2)16(6-3-4-7-16)14-19-15(23)17(8-11-18-12-9-17)22-13-5-10-20-22/h5,10,13,18H,3-4,6-9,11-12,14H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120937895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).