(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone

C18H27N3O — CID 119493710

IUPAC(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CCCN2Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O/c1-19-16-9-5-12-21(14-16)18(22)17-10-6-11-20(17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3
InChIKeySXZSCTQDAMVVJG-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.86
Rot. Bonds4

About (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone

(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119493710) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119493710
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CCCN2Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O/c1-19-16-9-5-12-21(14-16)18(22)17-10-6-11-20(17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3
InChIKeySXZSCTQDAMVVJG-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.86
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)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
(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-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(1-benzylpiperidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022869

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119493710) is (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)C2CCCN2Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is SXZSCTQDAMVVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19-16-9-5-12-21(14-16)18(22)17-10-6-11-20(17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3.
What are the key properties of (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119493710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).