N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide

C21H28N4O2 — CID 119067015

IUPACN,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2ccc(-c3cnn(C)c3)cc2)C1
InChIInChI=1S/C21H28N4O2/c1-4-24(5-2)21(27)18-7-6-12-25(15-18)20(26)17-10-8-16(9-11-17)19-13-22-23(3)14-19/h8-11,13-14,18H,4-7,12,15H2,1-3H3
InChIKeyPAPCWSCAVDTYIR-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.81
Rot. Bonds5

About N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide

N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 119067015) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
PubChem CID119067015
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2ccc(-c3cnn(C)c3)cc2)C1
InChIInChI=1S/C21H28N4O2/c1-4-24(5-2)21(27)18-7-6-12-25(15-18)20(26)17-10-8-16(9-11-17)19-13-22-23(3)14-19/h8-11,13-14,18H,4-7,12,15H2,1-3H3
InChIKeyPAPCWSCAVDTYIR-UHFFFAOYSA-N
XLogP2.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 47085209
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 150790938
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 126448230
(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
1-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide
CID 77087302
(3R)-1-[1-[(4-chlorophenyl)methyl]triazole-4-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 42288735
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide (CID 119067015) is N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2ccc(-c3cnn(C)c3)cc2)C1.
What is the InChIKey of N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is PAPCWSCAVDTYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-24(5-2)21(27)18-7-6-12-25(15-18)20(26)17-10-8-16(9-11-17)19-13-22-23(3)14-19/h8-11,13-14,18H,4-7,12,15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119067015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).