3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

C22H30N4O2 — CID 45188632

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)Nc2cc(C)ccc2OC)C1
InChIInChI=1S/C22H30N4O2/c1-4-25(15-18-9-11-23-12-10-18)19-6-5-13-26(16-19)22(27)24-20-14-17(2)7-8-21(20)28-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3,(H,24,27)
InChIKeyRZLXBJKMNXOQRJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.92
Rot. Bonds6

About 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (PubChem CID 45188632) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
PubChem CID45188632
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)Nc2cc(C)ccc2OC)C1
InChIInChI=1S/C22H30N4O2/c1-4-25(15-18-9-11-23-12-10-18)19-6-5-13-26(16-19)22(27)24-20-14-17(2)7-8-21(20)28-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3,(H,24,27)
InChIKeyRZLXBJKMNXOQRJ-UHFFFAOYSA-N
XLogP3.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45173407
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
CID 56919120
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 29088331
4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol
CID 45219982
N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
CID 47749354
ethyl 1-[2-(2-methoxy-5-methylanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108515542
(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 42395615
N-(2-methoxy-5-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 24731278
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(2-methoxy-5-methylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551381
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (CID 45188632) is 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is CCN(Cc1ccncc1)C1CCCN(C(=O)Nc2cc(C)ccc2OC)C1.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The InChIKey is RZLXBJKMNXOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-25(15-18-9-11-23-12-10-18)19-6-5-13-26(16-19)22(27)24-20-14-17(2)7-8-21(20)28-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3,(H,24,27).
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 45188632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).