2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C19H30N4O2 — CID 56779137

IUPAC2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CC(=O)N1CCCCC1Cn1cc(C)cn1
InChIInChI=1S/C19H30N4O2/c1-15-12-20-21(13-15)14-18-8-4-6-10-23(18)19(25)11-17-7-3-5-9-22(17)16(2)24/h12-13,17-18H,3-11,14H2,1-2H3
InChIKeyRKXPSQTYPQYQDD-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.36
Rot. Bonds4

About 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 56779137) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID56779137
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CC(=O)N1CCCCC1Cn1cc(C)cn1
InChIInChI=1S/C19H30N4O2/c1-15-12-20-21(13-15)14-18-8-4-6-10-23(18)19(25)11-17-7-3-5-9-22(17)16(2)24/h12-13,17-18H,3-11,14H2,1-2H3
InChIKeyRKXPSQTYPQYQDD-UHFFFAOYSA-N
XLogP2.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
2-Methyl-6-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 53564620
2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608327
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780174
8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
3-(1-methyl-2-piperidinyl)-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 72940670
1-(cyclohexylmethyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72838074

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 56779137) is 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CC(=O)N1CCCCC1Cn1cc(C)cn1.
What is the InChIKey of 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is RKXPSQTYPQYQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-12-20-21(13-15)14-18-8-4-6-10-23(18)19(25)11-17-7-3-5-9-22(17)16(2)24/h12-13,17-18H,3-11,14H2,1-2H3.
What are the key properties of 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56779137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).