1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide

C28H37N3O4 — CID 55798514

IUPAC1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(CN4CCCC(C)C4)cc3)CC2)c1
InChIInChI=1S/C28H37N3O4/c1-20-5-4-12-30(18-20)19-21-6-8-24(9-7-21)29-27(32)22-10-13-31(14-11-22)28(33)23-15-25(34-2)17-26(16-23)35-3/h6-9,15-17,20,22H,4-5,10-14,18-19H2,1-3H3,(H,29,32)
InChIKeyBBDNUPJITPOVLZ-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.43
Rot. Bonds7

About 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 55798514) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
PubChem CID55798514
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(CN4CCCC(C)C4)cc3)CC2)c1
InChIInChI=1S/C28H37N3O4/c1-20-5-4-12-30(18-20)19-21-6-8-24(9-7-21)29-27(32)22-10-13-31(14-11-22)28(33)23-15-25(34-2)17-26(16-23)35-3/h6-9,15-17,20,22H,4-5,10-14,18-19H2,1-3H3,(H,29,32)
InChIKeyBBDNUPJITPOVLZ-UHFFFAOYSA-N
XLogP4.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 55714823
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
1-(3,5-dimethoxybenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-4-carboxamide
CID 55721837
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
CID 51953570
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 167859108

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide (CID 55798514) is 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(CN4CCCC(C)C4)cc3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is BBDNUPJITPOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-20-5-4-12-30(18-20)19-21-6-8-24(9-7-21)29-27(32)22-10-13-31(14-11-22)28(33)23-15-25(34-2)17-26(16-23)35-3/h6-9,15-17,20,22H,4-5,10-14,18-19H2,1-3H3,(H,29,32).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55798514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).