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

C26H41N3O3 — CID 42881514

IUPAC1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCCCCC(CC)C(=O)N1CCC(N2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C26H41N3O3/c1-4-6-8-20(5-2)26(31)29-17-13-23(14-18-29)28-15-11-21(12-16-28)25(30)27-22-9-7-10-24(19-22)32-3/h7,9-10,19-21,23H,4-6,8,11-18H2,1-3H3,(H,27,30)
InChIKeyCGRCMBNGRSKDOK-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.55
Rot. Bonds9

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

1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 42881514) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID42881514
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCCCCC(CC)C(=O)N1CCC(N2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C26H41N3O3/c1-4-6-8-20(5-2)26(31)29-17-13-23(14-18-29)28-15-11-21(12-16-28)25(30)27-22-9-7-10-24(19-22)32-3/h7,9-10,19-21,23H,4-6,8,11-18H2,1-3H3,(H,27,30)
InChIKeyCGRCMBNGRSKDOK-UHFFFAOYSA-N
XLogP4.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881516
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881212
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008005
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 42881514) is 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide is CCCCC(CC)C(=O)N1CCC(N2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1.
What is the InChIKey of 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is CGRCMBNGRSKDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-4-6-8-20(5-2)26(31)29-17-13-23(14-18-29)28-15-11-21(12-16-28)25(30)27-22-9-7-10-24(19-22)32-3/h7,9-10,19-21,23H,4-6,8,11-18H2,1-3H3,(H,27,30).
What are the key properties of 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 443.63 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).