(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide

C19H29N3O — CID 95706399

IUPAC(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H29N3O/c1-15(20-19(23)17-6-5-11-21(2)14-17)16-7-9-18(10-8-16)22-12-3-4-13-22/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyUPHSKEGBNUACFW-DOTOQJQBSA-N
MW315.46 g/mol
LogP2.81
Rot. Bonds4

About (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide

(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 95706399) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID95706399
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H29N3O/c1-15(20-19(23)17-6-5-11-21(2)14-17)16-7-9-18(10-8-16)22-12-3-4-13-22/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyUPHSKEGBNUACFW-DOTOQJQBSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
(3R)-1-methylsulfonyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95118836
(3S)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 100822017
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 125074666
(3R)-1-ethylsulfonyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95880424
1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 75462150
2-(1-methylpiperidin-4-yl)-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 99970017
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 125071514
[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide (CID 95706399) is (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is UPHSKEGBNUACFW-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(20-19(23)17-6-5-11-21(2)14-17)16-7-9-18(10-8-16)22-12-3-4-13-22/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95706399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).