N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide

C18H27N3O — CID 119856028

IUPACN-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O/c22-18(12-16-8-4-10-19-16)20-17-9-5-11-21(14-17)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22)
InChIKeyIIDNBBYJJVTXSY-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.91
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide

N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119856028) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID119856028
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O/c22-18(12-16-8-4-10-19-16)20-17-9-5-11-21(14-17)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22)
InChIKeyIIDNBBYJJVTXSY-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42958724
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CID 60756097
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide (CID 119856028) is N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is IIDNBBYJJVTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(12-16-8-4-10-19-16)20-17-9-5-11-21(14-17)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide?
N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 301.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119856028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).