5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one

C23H30N4O2 — CID 136526026

IUPAC5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1c1cnn(C)c1
InChIInChI=1S/C23H30N4O2/c1-25-16-19(15-24-25)22-20(8-9-21(28)26(22)2)23(29)27-12-10-18(11-13-27)14-17-6-4-3-5-7-17/h3-7,15-16,18,20,22H,8-14H2,1-2H3
InChIKeyRTYFSRMFCAAGJO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.81
Rot. Bonds4

About 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one

5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 136526026) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID136526026
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1c1cnn(C)c1
InChIInChI=1S/C23H30N4O2/c1-25-16-19(15-24-25)22-20(8-9-21(28)26(22)2)23(29)27-12-10-18(11-13-27)14-17-6-4-3-5-7-17/h3-7,15-16,18,20,22H,8-14H2,1-2H3
InChIKeyRTYFSRMFCAAGJO-UHFFFAOYSA-N
XLogP2.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
CID 119485273
(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124620457
2-methyl-3-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]-2-phenylpropanoic acid
CID 120701552
(5R,6R)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124840117
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590778
4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
CID 119172685
(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125134220
5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
CID 119663142
(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 95769919

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one (CID 136526026) is 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one is CN1C(=O)CCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1c1cnn(C)c1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is RTYFSRMFCAAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-25-16-19(15-24-25)22-20(8-9-21(28)26(22)2)23(29)27-12-10-18(11-13-27)14-17-6-4-3-5-7-17/h3-7,15-16,18,20,22H,8-14H2,1-2H3.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one?
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 136526026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).