2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide

C16H21N5O3 — CID 95896405

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H21N5O3/c22-14(11-21-15(23)8-18-16(21)24)19-13-5-3-7-20(10-13)9-12-4-1-2-6-17-12/h1-2,4,6,13H,3,5,7-11H2,(H,18,24)(H,19,22)/t13-/m0/s1
InChIKeyPVHIMWMNIQEPCH-ZDUSSCGKSA-N
MW331.38 g/mol
LogP-0.29
Rot. Bonds5

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 95896405) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
PubChem CID95896405
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H21N5O3/c22-14(11-21-15(23)8-18-16(21)24)19-13-5-3-7-20(10-13)9-12-4-1-2-6-17-12/h1-2,4,6,13H,3,5,7-11H2,(H,18,24)(H,19,22)/t13-/m0/s1
InChIKeyPVHIMWMNIQEPCH-ZDUSSCGKSA-N
XLogP-0.29
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 127247784
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 45223884
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 56887566
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
1-(2,4-difluorophenyl)-3-[(3R)-1-(pyridin-2-ylmethyl)azepan-3-yl]urea
CID 96578894
3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
CID 42595661

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide (CID 95896405) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide is O=C(CN1C(=O)CNC1=O)N[C@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is PVHIMWMNIQEPCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14(11-21-15(23)8-18-16(21)24)19-13-5-3-7-20(10-13)9-12-4-1-2-6-17-12/h1-2,4,6,13H,3,5,7-11H2,(H,18,24)(H,19,22)/t13-/m0/s1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 331.38 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 95896405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).