N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

C18H25N3O2 — CID 119285186

IUPACN-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCNCC2)c1C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O2/c1-13-5-4-6-15(16(13)18(23)21-11-2-3-12-21)20-17(22)14-7-9-19-10-8-14/h4-6,14,19H,2-3,7-12H2,1H3,(H,20,22)
InChIKeySJOSLDOHDHMIBD-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds3

About N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 119285186) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID119285186
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCNCC2)c1C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O2/c1-13-5-4-6-15(16(13)18(23)21-11-2-3-12-21)20-17(22)14-7-9-19-10-8-14/h4-6,14,19H,2-3,7-12H2,1H3,(H,20,22)
InChIKeySJOSLDOHDHMIBD-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715827
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 119285186) is N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCNCC2)c1C(=O)N1CCCC1.
What is the InChIKey of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SJOSLDOHDHMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-5-4-6-15(16(13)18(23)21-11-2-3-12-21)20-17(22)14-7-9-19-10-8-14/h4-6,14,19H,2-3,7-12H2,1H3,(H,20,22).
What are the key properties of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119285186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).