N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

C18H25N3O3 — CID 119307348

IUPACN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C18H25N3O3/c1-24-16-5-4-14(18(23)21-10-2-3-11-21)12-15(16)20-17(22)13-6-8-19-9-7-13/h4-5,12-13,19H,2-3,6-11H2,1H3,(H,20,22)
InChIKeyOTLABQQCUYIIIX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.87
Rot. Bonds4

About N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 119307348) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID119307348
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C18H25N3O3/c1-24-16-5-4-14(18(23)21-10-2-3-11-21)12-15(16)20-17(22)13-6-8-19-9-7-13/h4-5,12-13,19H,2-3,6-11H2,1H3,(H,20,22)
InChIKeyOTLABQQCUYIIIX-UHFFFAOYSA-N
XLogP1.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 119307348) is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CCNCC1.
What is the InChIKey of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OTLABQQCUYIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-5-4-14(18(23)21-10-2-3-11-21)12-15(16)20-17(22)13-6-8-19-9-7-13/h4-5,12-13,19H,2-3,6-11H2,1H3,(H,20,22).
What are the key properties of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).