(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C21H34N4O — CID 31462183

IUPAC(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H34N4O/c1-17-19(18(2)24(3)23-17)10-11-20(26)22-16-21(12-6-4-7-13-21)25-14-8-5-9-15-25/h10-11H,4-9,12-16H2,1-3H3,(H,22,26)/b11-10+
InChIKeyIRZCSRHCRFDWEO-ZHACJKMWSA-N
MW358.53 g/mol
LogP3.36
Rot. Bonds5

About (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 31462183) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID31462183
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H34N4O/c1-17-19(18(2)24(3)23-17)10-11-20(26)22-16-21(12-6-4-7-13-21)25-14-8-5-9-15-25/h10-11H,4-9,12-16H2,1-3H3,(H,22,26)/b11-10+
InChIKeyIRZCSRHCRFDWEO-ZHACJKMWSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 45900080
N-[(1-benzylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 51095869
N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220546
2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 92403210
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 24683943
(E)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 43072488
(E)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 49073899
(E)-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 56289823
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 60408678
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 76859770
1-[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-[2-(3,4,5-trimethylpyrazol-1-yl)ethylamino]piperidin-1-yl]ethanone
CID 129589129
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 17418634

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 31462183) is (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1/C=C/C(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is IRZCSRHCRFDWEO-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17-19(18(2)24(3)23-17)10-11-20(26)22-16-21(12-6-4-7-13-21)25-14-8-5-9-15-25/h10-11H,4-9,12-16H2,1-3H3,(H,22,26)/b11-10+.
What are the key properties of (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 358.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 31462183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).