N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H31N5O2 — CID 120930129

IUPACN-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(CC1CCCCC1)NCCNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H31N5O2/c25-17(15-16-5-2-1-3-6-16)21-12-13-22-18(26)19(7-10-20-11-8-19)24-14-4-9-23-24/h4,9,14,16,20H,1-3,5-8,10-13,15H2,(H,21,25)(H,22,26)
InChIKeyRFKPWTPBYRDVGA-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.16
Rot. Bonds7

About N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120930129) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120930129
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(CC1CCCCC1)NCCNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H31N5O2/c25-17(15-16-5-2-1-3-6-16)21-12-13-22-18(26)19(7-10-20-11-8-19)24-14-4-9-23-24/h4,9,14,16,20H,1-3,5-8,10-13,15H2,(H,21,25)(H,22,26)
InChIKeyRFKPWTPBYRDVGA-UHFFFAOYSA-N
XLogP1.16
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940896
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120942485
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918503
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-(2-morpholin-4-ylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937758
N-[2-(benzenesulfonamido)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921380
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120930129) is N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(CC1CCCCC1)NCCNC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is RFKPWTPBYRDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c25-17(15-16-5-2-1-3-6-16)21-12-13-22-18(26)19(7-10-20-11-8-19)24-14-4-9-23-24/h4,9,14,16,20H,1-3,5-8,10-13,15H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120930129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).