N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide

C20H31N3O2 — CID 110821528

IUPACN-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-5-15(6-2)19(24)21-17-10-12-23(13-11-17)20(25)16-8-7-9-18(14-16)22(3)4/h7-9,14-15,17H,5-6,10-13H2,1-4H3,(H,21,24)
InChIKeyNEJWQNOOANWUNE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.91
Rot. Bonds6

About N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide

N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide (PubChem CID 110821528) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
PubChem CID110821528
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-5-15(6-2)19(24)21-17-10-12-23(13-11-17)20(25)16-8-7-9-18(14-16)22(3)4/h7-9,14-15,17H,5-6,10-13H2,1-4H3,(H,21,24)
InChIKeyNEJWQNOOANWUNE-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
CID 110821537
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide (CID 110821528) is N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(C(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is NEJWQNOOANWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-15(6-2)19(24)21-17-10-12-23(13-11-17)20(25)16-8-7-9-18(14-16)22(3)4/h7-9,14-15,17H,5-6,10-13H2,1-4H3,(H,21,24).
What are the key properties of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide?
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 345.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 110821528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).