N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide

C24H29N3O3 — CID 24731106

IUPACN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1cccc(OC)c1)C1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C24H29N3O3/c1-29-14-13-27(24(28)21-7-4-8-23(16-21)30-2)22-9-11-26(12-10-22)18-20-6-3-5-19(15-20)17-25/h3-8,15-16,22H,9-14,18H2,1-2H3
InChIKeyQWSDFOGGUKSXQL-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.32
Rot. Bonds8

About N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 24731106) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID24731106
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1cccc(OC)c1)C1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C24H29N3O3/c1-29-14-13-27(24(28)21-7-4-8-23(16-21)30-2)22-9-11-26(12-10-22)18-20-6-3-5-19(15-20)17-25/h3-8,15-16,22H,9-14,18H2,1-2H3
InChIKeyQWSDFOGGUKSXQL-UHFFFAOYSA-N
XLogP3.32
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 24732540
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)-4-methylsulfonylbenzamide
CID 24731104
1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730757
3-[8-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97370042
N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058464
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 24731097
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide (CID 24731106) is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1cccc(OC)c1)C1CCN(Cc2cccc(C#N)c2)CC1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is QWSDFOGGUKSXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-29-14-13-27(24(28)21-7-4-8-23(16-21)30-2)22-9-11-26(12-10-22)18-20-6-3-5-19(15-20)17-25/h3-8,15-16,22H,9-14,18H2,1-2H3.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide?
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 407.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 24731106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).