4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide

C24H30N4O2 — CID 55809651

IUPAC4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCC3CCN(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-19(29)21-7-9-23(10-8-21)26-13-15-27(16-14-26)24(30)25-17-20-11-12-28(18-20)22-5-3-2-4-6-22/h2-10,20H,11-18H2,1H3,(H,25,30)
InChIKeyUISBGKKDDLRJDC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.25
Rot. Bonds5

About 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide

4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 55809651) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID55809651
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCC3CCN(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-19(29)21-7-9-23(10-8-21)26-13-15-27(16-14-26)24(30)25-17-20-11-12-28(18-20)22-5-3-2-4-6-22/h2-10,20H,11-18H2,1H3,(H,25,30)
InChIKeyUISBGKKDDLRJDC-UHFFFAOYSA-N
XLogP3.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 94021406
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 94021405
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
4-(4-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111242727
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119525

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide (CID 55809651) is 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NCC3CCN(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is UISBGKKDDLRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19(29)21-7-9-23(10-8-21)26-13-15-27(16-14-26)24(30)25-17-20-11-12-28(18-20)22-5-3-2-4-6-22/h2-10,20H,11-18H2,1H3,(H,25,30).
What are the key properties of 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55809651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).