N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C18H25N3O2 — CID 42959912

IUPACN-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C18H25N3O2/c1-14-6-8-16(9-7-14)19-17(22)15-5-4-12-21(13-15)18(23)20-10-2-3-11-20/h6-9,15H,2-5,10-13H2,1H3,(H,19,22)
InChIKeyMNUGBNUUVVEEBV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.86
Rot. Bonds2

About N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 42959912) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID42959912
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C18H25N3O2/c1-14-6-8-16(9-7-14)19-17(22)15-5-4-12-21(13-15)18(23)20-10-2-3-11-20/h6-9,15H,2-5,10-13H2,1H3,(H,19,22)
InChIKeyMNUGBNUUVVEEBV-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 122110171
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 42959912) is N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is MNUGBNUUVVEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-6-8-16(9-7-14)19-17(22)15-5-4-12-21(13-15)18(23)20-10-2-3-11-20/h6-9,15H,2-5,10-13H2,1H3,(H,19,22).
What are the key properties of N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42959912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).