1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide

C24H31N3O4 — CID 55880955

IUPAC1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)C2CCCN(C(=O)CC)C2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-15-30-20-9-11-21(12-10-20)31-24-18(7-5-13-25-24)16-26-23(29)19-8-6-14-27(17-19)22(28)4-2/h5,7,9-13,19H,3-4,6,8,14-17H2,1-2H3,(H,26,29)
InChIKeyYFECKSQBDAEFJA-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.93
Rot. Bonds9

About 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide

1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide (PubChem CID 55880955) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
PubChem CID55880955
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)C2CCCN(C(=O)CC)C2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-15-30-20-9-11-21(12-10-20)31-24-18(7-5-13-25-24)16-26-23(29)19-8-6-14-27(17-19)22(28)4-2/h5,7,9-13,19H,3-4,6,8,14-17H2,1-2H3,(H,26,29)
InChIKeyYFECKSQBDAEFJA-UHFFFAOYSA-N
XLogP3.93
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55803793
1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111929334
ethyl 1-[N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993334
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
1-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549456
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55790751
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200428

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide (CID 55880955) is 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide is CCCOc1ccc(Oc2ncccc2CNC(=O)C2CCCN(C(=O)CC)C2)cc1.
What is the InChIKey of 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The InChIKey is YFECKSQBDAEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-15-30-20-9-11-21(12-10-20)31-24-18(7-5-13-25-24)16-26-23(29)19-8-6-14-27(17-19)22(28)4-2/h5,7,9-13,19H,3-4,6,8,14-17H2,1-2H3,(H,26,29).
What are the key properties of 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide?
1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).