N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide

C19H27N3O2 — CID 97027820

IUPACN-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-15(23)20-17-9-5-12-22(14-17)19(24)18-10-6-11-21(18)13-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-14H2,1H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyJBQVZKSCARMUGG-ZWKOTPCHSA-N
MW329.44 g/mol
LogP1.78
Rot. Bonds4

About N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide

N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide (PubChem CID 97027820) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
PubChem CID97027820
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-15(23)20-17-9-5-12-22(14-17)19(24)18-10-6-11-21(18)13-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-14H2,1H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyJBQVZKSCARMUGG-ZWKOTPCHSA-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-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(1-benzylpyrrolidin-2-yl)methanone
CID 56873934
methyl (2R)-4-[(2R)-1-benzylpyrrolidine-2-carbonyl]morpholine-2-carboxylate
CID 124527886
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide (CID 97027820) is N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is JBQVZKSCARMUGG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(23)20-17-9-5-12-22(14-17)19(24)18-10-6-11-21(18)13-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-14H2,1H3,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-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-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97027820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).