2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide

C23H32N4O3 — CID 46968942

IUPAC2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C23H32N4O3/c28-21(15-20-22(29)27(23(30)25-20)18-10-3-1-4-11-18)24-19-12-6-5-9-17(19)16-26-13-7-2-8-14-26/h5-6,9,12,18,20H,1-4,7-8,10-11,13-16H2,(H,24,28)(H,25,30)
InChIKeyRQGCNWJNZUOCTJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.25
Rot. Bonds6

About 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide

2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 46968942) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID46968942
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C23H32N4O3/c28-21(15-20-22(29)27(23(30)25-20)18-10-3-1-4-11-18)24-19-12-6-5-9-17(19)16-26-13-7-2-8-14-26/h5-6,9,12,18,20H,1-4,7-8,10-11,13-16H2,(H,24,28)(H,25,30)
InChIKeyRQGCNWJNZUOCTJ-UHFFFAOYSA-N
XLogP3.25
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131948945
(3aR,6aS)-2-methyl-1,3-dioxo-N-[2-(piperidin-1-ylmethyl)phenyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 72854718
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
(2R)-2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide
CID 124869417
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide (CID 46968942) is 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide is O=C(CC1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is RQGCNWJNZUOCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c28-21(15-20-22(29)27(23(30)25-20)18-10-3-1-4-11-18)24-19-12-6-5-9-17(19)16-26-13-7-2-8-14-26/h5-6,9,12,18,20H,1-4,7-8,10-11,13-16H2,(H,24,28)(H,25,30).
What are the key properties of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 46968942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).