N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide

C28H37N3O5 — CID 42693279

IUPACN-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(N3CCC(C(=O)NCc4ccccc4)CC3)CC2)cc(OC)c1OC
InChIInChI=1S/C28H37N3O5/c1-34-24-17-22(18-25(35-2)26(24)36-3)28(33)31-15-11-23(12-16-31)30-13-9-21(10-14-30)27(32)29-19-20-7-5-4-6-8-20/h4-8,17-18,21,23H,9-16,19H2,1-3H3,(H,29,32)
InChIKeyRRXKQTNDGUKRHI-UHFFFAOYSA-N
MW495.62 g/mol
LogP3.35
Rot. Bonds8

About N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide

N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693279) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693279
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC NameN-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(N3CCC(C(=O)NCc4ccccc4)CC3)CC2)cc(OC)c1OC
InChIInChI=1S/C28H37N3O5/c1-34-24-17-22(18-25(35-2)26(24)36-3)28(33)31-15-11-23(12-16-31)30-13-9-21(10-14-30)27(32)29-19-20-7-5-4-6-8-20/h4-8,17-18,21,23H,9-16,19H2,1-3H3,(H,29,32)
InChIKeyRRXKQTNDGUKRHI-UHFFFAOYSA-N
XLogP3.35
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 87003142
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42694886
N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42693279) is N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(N3CCC(C(=O)NCc4ccccc4)CC3)CC2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RRXKQTNDGUKRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-34-24-17-22(18-25(35-2)26(24)36-3)28(33)31-15-11-23(12-16-31)30-13-9-21(10-14-30)27(32)29-19-20-7-5-4-6-8-20/h4-8,17-18,21,23H,9-16,19H2,1-3H3,(H,29,32).
What are the key properties of N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).