N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C14H20N4O2 — CID 155880030

IUPACN,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)N(C)C)(n2cccn2)C1
InChIInChI=1S/C14H20N4O2/c1-4-12(19)17-9-5-7-14(11-17,13(20)16(2)3)18-10-6-8-15-18/h4,6,8,10H,1,5,7,9,11H2,2-3H3
InChIKeySUGAAZCXHHSVTH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.47
Rot. Bonds3

About N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide

N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155880030) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155880030
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)N(C)C)(n2cccn2)C1
InChIInChI=1S/C14H20N4O2/c1-4-12(19)17-9-5-7-14(11-17,13(20)16(2)3)18-10-6-8-15-18/h4,6,8,10H,1,5,7,9,11H2,2-3H3
InChIKeySUGAAZCXHHSVTH-UHFFFAOYSA-N
XLogP0.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879589
N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879948
N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878692
N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155878997
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878950
1-(cyclopentene-1-carbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876824
1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155871471
1-(3-methoxypropanoyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873177
1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879216
1-[(3S)-3-amino-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 144855598
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879681
N,N-dimethyl-1-[2-(oxan-4-yl)acetyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873079

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155880030) is N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)N(C)C)(n2cccn2)C1.
What is the InChIKey of N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is SUGAAZCXHHSVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-12(19)17-9-5-7-14(11-17,13(20)16(2)3)18-10-6-8-15-18/h4,6,8,10H,1,5,7,9,11H2,2-3H3.
What are the key properties of N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155880030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).