N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide

C24H37N3O3 — CID 46032232

IUPACN-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C24H37N3O3/c1-6-26(7-2)24(30)22(25-21(28)16-17(3)4)19-12-14-27(15-13-19)23(29)20-11-9-8-10-18(20)5/h8-11,17,19,22H,6-7,12-16H2,1-5H3,(H,25,28)
InChIKeyACWONMSGZMAYML-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.25
Rot. Bonds8

About N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide

N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46032232) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
PubChem CID46032232
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC NameN-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C24H37N3O3/c1-6-26(7-2)24(30)22(25-21(28)16-17(3)4)19-12-14-27(15-13-19)23(29)20-11-9-8-10-18(20)5/h8-11,17,19,22H,6-7,12-16H2,1-5H3,(H,25,28)
InChIKeyACWONMSGZMAYML-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032274
N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198833
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 46031954
N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199826
N-[2-(butan-2-ylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46019064
N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46151701
N-[2-(butan-2-ylamino)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019617
2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197220
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide (CID 46032232) is N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide is CCN(CC)C(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is ACWONMSGZMAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-6-26(7-2)24(30)22(25-21(28)16-17(3)4)19-12-14-27(15-13-19)23(29)20-11-9-8-10-18(20)5/h8-11,17,19,22H,6-7,12-16H2,1-5H3,(H,25,28).
What are the key properties of N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 415.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46032232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).