N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide

C12H20N2O2 — CID 169079001

IUPACN-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-11(15)14-7-5-10(6-8-14)12(16)13-9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyWQBOTOKLTGLYSI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.94
Rot. Bonds3

About N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide

N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 169079001) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID169079001
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-11(15)14-7-5-10(6-8-14)12(16)13-9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyWQBOTOKLTGLYSI-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(propan-2-yl)piperidine-4-carboxamide
CID 22959054
N-Methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
CID 23034625
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-fluoro-N-methyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 167202184
4-(Acrylamidomethyl)piperidine
CID 61792155
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
1-Prop-2-enoyl-N-(4,4,4-trifluoro-3,3-dimethylbutyl)piperidine-4-carboxamide
CID 145885482
1-(prop-2-enoyl)-N-[1-(2,2,2-trifluoroethyl)cyclopropyl]piperidine-4-carboxamide
CID 145898150
1-Prop-2-enoyl-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide
CID 145903769
N-(3-Fluoro-1-methylcyclobutyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 145903795
N-(3,3-Difluoropropyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 145905454
1-Prop-2-enoyl-N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]piperidine-4-carboxamide
CID 145908386
N-(1-cyclopropyl-2,2-difluoroethyl)-1-(prop-2-enoyl)piperidine-4-carboxamide
CID 154793655

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide (CID 169079001) is N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is WQBOTOKLTGLYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-11(15)14-7-5-10(6-8-14)12(16)13-9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,13,16).
What are the key properties of N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide?
N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 169079001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).