3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride

C14H28ClN3O2 — CID 119779357

IUPAC3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
SMILESCC(C)C(NC(=O)CC(C)C1CCNCC1)C(N)=O.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-9(2)13(14(15)19)17-12(18)8-10(3)11-4-6-16-7-5-11;/h9-11,13,16H,4-8H2,1-3H3,(H2,15,19)(H,17,18);1H
InChIKeyOSAYMOXQBKSFEJ-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.06
Rot. Bonds6

About 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride

3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride (PubChem CID 119779357) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
PubChem CID119779357
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
SMILESCC(C)C(NC(=O)CC(C)C1CCNCC1)C(N)=O.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-9(2)13(14(15)19)17-12(18)8-10(3)11-4-6-16-7-5-11;/h9-11,13,16H,4-8H2,1-3H3,(H2,15,19)(H,17,18);1H
InChIKeyOSAYMOXQBKSFEJ-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119789209
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
CID 119756301
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
CID 119812275
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride?
The IUPAC name of 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride (CID 119779357) is 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride is CC(C)C(NC(=O)CC(C)C1CCNCC1)C(N)=O.Cl.
What is the InChIKey of 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride?
The InChIKey is OSAYMOXQBKSFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-9(2)13(14(15)19)17-12(18)8-10(3)11-4-6-16-7-5-11;/h9-11,13,16H,4-8H2,1-3H3,(H2,15,19)(H,17,18);1H.
What are the key properties of 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride?
3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride is sourced from PubChem (CID 119779357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).