N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

C19H30N4O — CID 131893057

IUPACN-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(CC3CC=CCC3)CC2)nn1C
InChIInChI=1S/C19H30N4O/c1-15-12-18(21-22(15)2)19(24)20-13-16-8-10-23(11-9-16)14-17-6-4-3-5-7-17/h3-4,12,16-17H,5-11,13-14H2,1-2H3,(H,20,24)
InChIKeyDOYRGHDJLGMDLY-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.53
Rot. Bonds5

About N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 131893057) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID131893057
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(CC3CC=CCC3)CC2)nn1C
InChIInChI=1S/C19H30N4O/c1-15-12-18(21-22(15)2)19(24)20-13-16-8-10-23(11-9-16)14-17-6-4-3-5-7-17/h3-4,12,16-17H,5-11,13-14H2,1-2H3,(H,20,24)
InChIKeyDOYRGHDJLGMDLY-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 131927320
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide
CID 92637670
1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
CID 114218950
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317771
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
1,5-dimethyl-N-[[(2R)-morpholin-2-yl]methyl]pyrazole-3-carboxamide
CID 143160987
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 7316736
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 131893057) is N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCN(CC3CC=CCC3)CC2)nn1C.
What is the InChIKey of N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DOYRGHDJLGMDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-12-18(21-22(15)2)19(24)20-13-16-8-10-23(11-9-16)14-17-6-4-3-5-7-17/h3-4,12,16-17H,5-11,13-14H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 131893057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).