1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide

C21H33N3O2 — CID 154794249

IUPAC1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1
InChIInChI=1S/C21H33N3O2/c1-3-24-12-5-4-9-20(24)21(25)22-18-10-13-23(14-11-18)16-17-7-6-8-19(15-17)26-2/h6-8,15,18,20H,3-5,9-14,16H2,1-2H3,(H,22,25)
InChIKeyNWVDUPKXHBPNHR-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.65
Rot. Bonds6

About 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide

1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide (PubChem CID 154794249) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide
PubChem CID154794249
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1
InChIInChI=1S/C21H33N3O2/c1-3-24-12-5-4-9-20(24)21(25)22-18-10-13-23(14-11-18)16-17-7-6-8-19(15-17)26-2/h6-8,15,18,20H,3-5,9-14,16H2,1-2H3,(H,22,25)
InChIKeyNWVDUPKXHBPNHR-UHFFFAOYSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42696104
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55945187
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
2-chloro-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55945452
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide (CID 154794249) is 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide is CCN1CCCCC1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1.
What is the InChIKey of 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide?
The InChIKey is NWVDUPKXHBPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-24-12-5-4-9-20(24)21(25)22-18-10-13-23(14-11-18)16-17-7-6-8-19(15-17)26-2/h6-8,15,18,20H,3-5,9-14,16H2,1-2H3,(H,22,25).
What are the key properties of 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide?
1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 154794249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).