3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride

C14H28ClN3O2 — CID 120573407

IUPAC3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(2)9-14(19)16-8-6-13(18)17-12-5-4-7-15-11(12)3;/h10-12,15H,4-9H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyJELASGSWIJWIFX-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.22
Rot. Bonds6

About 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride

3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride (PubChem CID 120573407) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
PubChem CID120573407
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(2)9-14(19)16-8-6-13(18)17-12-5-4-7-15-11(12)3;/h10-12,15H,4-9H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyJELASGSWIJWIFX-UHFFFAOYSA-N
XLogP1.22
TPSA70.23 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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577673
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
CID 120577674
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576698
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
3-methyl-N-[2-[5-[(2-methylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
CID 120726632
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride (CID 120573407) is 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride is CC(C)CC(=O)NCCC(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
The InChIKey is JELASGSWIJWIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-10(2)9-14(19)16-8-6-13(18)17-12-5-4-7-15-11(12)3;/h10-12,15H,4-9H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride is sourced from PubChem (CID 120573407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).