5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one

C24H33N5O2 — CID 45215310

IUPAC5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCn1ccnc1CN1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C24H33N5O2/c1-26-13-11-25-22(26)19-27-14-16-28(17-15-27)24(31)21-9-10-23(30)29(18-21)12-5-8-20-6-3-2-4-7-20/h2-4,6-7,11,13,21H,5,8-10,12,14-19H2,1H3
InChIKeyKAALOFRBZNRQSZ-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.94
Rot. Bonds7

About 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one

5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 45215310) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
PubChem CID45215310
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCn1ccnc1CN1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C24H33N5O2/c1-26-13-11-25-22(26)19-27-14-16-28(17-15-27)24(31)21-9-10-23(30)29(18-21)12-5-8-20-6-3-2-4-7-20/h2-4,6-7,11,13,21H,5,8-10,12,14-19H2,1H3
InChIKeyKAALOFRBZNRQSZ-UHFFFAOYSA-N
XLogP1.94
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one with MolForge

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
(4-benzylsulfonylpiperazin-1-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 112838699
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
CID 25295167
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25295339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97138813

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one (CID 45215310) is 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one is Cn1ccnc1CN1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1.
What is the InChIKey of 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is KAALOFRBZNRQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-26-13-11-25-22(26)19-27-14-16-28(17-15-27)24(31)21-9-10-23(30)29(18-21)12-5-8-20-6-3-2-4-7-20/h2-4,6-7,11,13,21H,5,8-10,12,14-19H2,1H3.
What are the key properties of 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 423.56 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 45215310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).