3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

C16H32ClN3O2 — CID 120577673

IUPAC3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)NC1CCCNC1C)C(C)C.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-10(2)9-14(20)19-15(11(3)4)16(21)18-13-7-6-8-17-12(13)5;/h10-13,15,17H,6-9H2,1-5H3,(H,18,21)(H,19,20);1H
InChIKeyNPLFOAVBUDQXJJ-UHFFFAOYSA-N
MW333.90 g/mol
LogP1.85
Rot. Bonds6

About 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 120577673) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID120577673
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)NC1CCCNC1C)C(C)C.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-10(2)9-14(20)19-15(11(3)4)16(21)18-13-7-6-8-17-12(13)5;/h10-13,15,17H,6-9H2,1-5H3,(H,18,21)(H,19,20);1H
InChIKeyNPLFOAVBUDQXJJ-UHFFFAOYSA-N
XLogP1.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.85
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
CID 120577674
3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
CID 120573407
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
4-methoxy-N-[3-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 120577935
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
CID 119454087
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119459369
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
2-(cyclopentylmethyl)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120573985
(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
CID 130921760
2-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575422
2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
CID 120577618
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (CID 120577673) is 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is CC(C)CC(=O)NC(C(=O)NC1CCCNC1C)C(C)C.Cl.
What is the InChIKey of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is NPLFOAVBUDQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-10(2)9-14(20)19-15(11(3)4)16(21)18-13-7-6-8-17-12(13)5;/h10-13,15,17H,6-9H2,1-5H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.85, 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-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120577673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).