(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide

C20H29N3O2 — CID 125167077

IUPAC(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1CC[C@](C)(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C20H29N3O2/c1-20(10-13-22(2)15-20)19(25)21-14-16-6-8-17(9-7-16)18(24)23-11-4-3-5-12-23/h6-9H,3-5,10-15H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyPTZNRZZLLRHTQL-FQEVSTJZSA-N
MW343.47 g/mol
LogP2.27
Rot. Bonds4

About (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide

(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 125167077) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID125167077
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1CC[C@](C)(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C20H29N3O2/c1-20(10-13-22(2)15-20)19(25)21-14-16-6-8-17(9-7-16)18(24)23-11-4-3-5-12-23/h6-9H,3-5,10-15H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyPTZNRZZLLRHTQL-FQEVSTJZSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
N',3,3-trimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738399
(1S)-2,2-dichloro-1-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51868895
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
(3S)-1-(4-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087327
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 125167077) is (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide is CN1CC[C@](C)(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1.
What is the InChIKey of (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is PTZNRZZLLRHTQL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(10-13-22(2)15-20)19(25)21-14-16-6-8-17(9-7-16)18(24)23-11-4-3-5-12-23/h6-9H,3-5,10-15H2,1-2H3,(H,21,25)/t20-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125167077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).