N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

C18H26ClN3O2 — CID 119372812

IUPACN-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(N)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-12(2)16(18(24)22-10-8-15(20)9-11-22)21-17(23)13-4-6-14(19)7-5-13/h4-7,12,15-16H,3,8-11,20H2,1-2H3,(H,21,23)
InChIKeyMPWHQRUTUNOXJH-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.43
Rot. Bonds5

About N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (PubChem CID 119372812) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
PubChem CID119372812
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(N)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-12(2)16(18(24)22-10-8-15(20)9-11-22)21-17(23)13-4-6-14(19)7-5-13/h4-7,12,15-16H,3,8-11,20H2,1-2H3,(H,21,23)
InChIKeyMPWHQRUTUNOXJH-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119409193
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
4-chloro-N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 119634860
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
4-chloro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119487477
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119414074
4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55851363
N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (CID 119372812) is N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(N)CC1.
What is the InChIKey of N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The InChIKey is MPWHQRUTUNOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-12(2)16(18(24)22-10-8-15(20)9-11-22)21-17(23)13-4-6-14(19)7-5-13/h4-7,12,15-16H,3,8-11,20H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide has a molecular weight of 351.88 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 119372812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).