N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide

C19H27N3O2 — CID 49399454

IUPACN-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-15(23)20-17-9-12-21(13-10-17)19(24)18-8-5-11-22(18)14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3,(H,20,23)
InChIKeyDMIWGFRSNCTQLE-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.78
Rot. Bonds4

About N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide

N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 49399454) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID49399454
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-15(23)20-17-9-12-21(13-10-17)19(24)18-8-5-11-22(18)14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3,(H,20,23)
InChIKeyDMIWGFRSNCTQLE-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820
N-[(3S)-1-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
CID 51093260
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide (CID 49399454) is N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is DMIWGFRSNCTQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(23)20-17-9-12-21(13-10-17)19(24)18-8-5-11-22(18)14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3,(H,20,23).
What are the key properties of N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49399454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).