N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide

C18H28N4O2 — CID 126776876

IUPACN-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)c2cnn(C3CCCC3)c2C)C1
InChIInChI=1S/C18H28N4O2/c1-13-17(11-20-22(13)16-7-3-4-8-16)18(24)21-9-5-6-15(12-21)10-19-14(2)23/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyBYMQMSXZBMFOQA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.29
Rot. Bonds4

About N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide

N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide (PubChem CID 126776876) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
PubChem CID126776876
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)c2cnn(C3CCCC3)c2C)C1
InChIInChI=1S/C18H28N4O2/c1-13-17(11-20-22(13)16-7-3-4-8-16)18(24)21-9-5-6-15(12-21)10-19-14(2)23/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyBYMQMSXZBMFOQA-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
CID 167946154
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 166343622
2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552189
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036
3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
CID 166236584
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126784537
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 126792461

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide (CID 126776876) is N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(C(=O)c2cnn(C3CCCC3)c2C)C1.
What is the InChIKey of N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is BYMQMSXZBMFOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-17(11-20-22(13)16-7-3-4-8-16)18(24)21-9-5-6-15(12-21)10-19-14(2)23/h11,15-16H,3-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 126776876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).