1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

C21H35N5O2 — CID 72912638

IUPAC1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)C(C)n3cc(C)cn3)CC2)CC1
InChIInChI=1S/C21H35N5O2/c1-4-23-11-13-24(14-12-23)20(27)6-5-19-7-9-25(10-8-19)21(28)18(3)26-16-17(2)15-22-26/h15-16,18-19H,4-14H2,1-3H3
InChIKeyWCENOPFSRSGGDJ-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.94
Rot. Bonds6

About 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 72912638) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID72912638
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)C(C)n3cc(C)cn3)CC2)CC1
InChIInChI=1S/C21H35N5O2/c1-4-23-11-13-24(14-12-23)20(27)6-5-19-7-9-25(10-8-19)21(28)18(3)26-16-17(2)15-22-26/h15-16,18-19H,4-14H2,1-3H3
InChIKeyWCENOPFSRSGGDJ-UHFFFAOYSA-N
XLogP1.94
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
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
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780174
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
9-(cyclopropylmethyl)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70775064
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72859718
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (CID 72912638) is 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(=O)C(C)n3cc(C)cn3)CC2)CC1.
What is the InChIKey of 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is WCENOPFSRSGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-4-23-11-13-24(14-12-23)20(27)6-5-19-7-9-25(10-8-19)21(28)18(3)26-16-17(2)15-22-26/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 389.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 72912638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).