N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide

C25H37N3O4 — CID 46019728

IUPACN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O4/c1-4-27(5-2)25(31)22(26-23(29)20-11-8-12-21(17-20)32-3)18-13-15-28(16-14-18)24(30)19-9-6-7-10-19/h8,11-12,17-19,22H,4-7,9-10,13-16H2,1-3H3,(H,26,29)
InChIKeyCZXWGWPTUFUTRZ-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.09
Rot. Bonds8

About N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide

N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 46019728) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID46019728
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC NameN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O4/c1-4-27(5-2)25(31)22(26-23(29)20-11-8-12-21(17-20)32-3)18-13-15-28(16-14-18)24(30)19-9-6-7-10-19/h8,11-12,17-19,22H,4-7,9-10,13-16H2,1-3H3,(H,26,29)
InChIKeyCZXWGWPTUFUTRZ-UHFFFAOYSA-N
XLogP3.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 46020741
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198236
N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198067
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198098
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019895
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 46020740
3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198371
4-[(1R)-1-[(3-methoxybenzoyl)amino]-2-oxo-2-pyrrolidin-1-ylethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200337
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide (CID 46019728) is N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide is CCN(CC)C(=O)C(NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is CZXWGWPTUFUTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-4-27(5-2)25(31)22(26-23(29)20-11-8-12-21(17-20)32-3)18-13-15-28(16-14-18)24(30)19-9-6-7-10-19/h8,11-12,17-19,22H,4-7,9-10,13-16H2,1-3H3,(H,26,29).
What are the key properties of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 443.59 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 46019728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).