N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide

C15H23N5O — CID 60978048

IUPACN-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(C2CCCN2)C1)Nc1ncccn1
InChIInChI=1S/C15H23N5O/c21-14(19-15-17-7-3-8-18-15)11-20-9-2-4-12(10-20)13-5-1-6-16-13/h3,7-8,12-13,16H,1-2,4-6,9-11H2,(H,17,18,19,21)
InChIKeyXNRSNFAENMEWFH-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.88
Rot. Bonds4

About N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide

N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide (PubChem CID 60978048) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
PubChem CID60978048
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(C2CCCN2)C1)Nc1ncccn1
InChIInChI=1S/C15H23N5O/c21-14(19-15-17-7-3-8-18-15)11-20-9-2-4-12(10-20)13-5-1-6-16-13/h3,7-8,12-13,16H,1-2,4-6,9-11H2,(H,17,18,19,21)
InChIKeyXNRSNFAENMEWFH-UHFFFAOYSA-N
XLogP0.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 102682793
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 79410787
4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 60978691
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
CID 102682225
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-difluorophenyl)acetamide
CID 102681991
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-chlorophenyl)acetamide
CID 102683207
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 102683223
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 102682516

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide (CID 60978048) is N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide is O=C(CN1CCCC(C2CCCN2)C1)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is XNRSNFAENMEWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c21-14(19-15-17-7-3-8-18-15)11-20-9-2-4-12(10-20)13-5-1-6-16-13/h3,7-8,12-13,16H,1-2,4-6,9-11H2,(H,17,18,19,21).
What are the key properties of N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 60978048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).