2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride

C13H27ClN4O2 — CID 120577618

IUPAC2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-3-4-6-11(17-13(14)19)12(18)16-10-7-5-8-15-9(10)2;/h9-11,15H,3-8H2,1-2H3,(H,16,18)(H3,14,17,19);1H
InChIKeyAAABGEPOEUASKF-UHFFFAOYSA-N
MW306.84 g/mol
LogP0.89
Rot. Bonds6

About 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride

2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride (PubChem CID 120577618) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
PubChem CID120577618
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC Name2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-3-4-6-11(17-13(14)19)12(18)16-10-7-5-8-15-9(10)2;/h9-11,15H,3-8H2,1-2H3,(H,16,18)(H3,14,17,19);1H
InChIKeyAAABGEPOEUASKF-UHFFFAOYSA-N
XLogP0.89
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(3-methylpiperidin-4-yl)hexanamide
CID 120555425
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
CID 130921760
N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
CID 119475285
2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
CID 119460747
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577673
2-(cyclopentylmethyl)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120573985
2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
CID 119619625
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
CID 120577674
N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride
CID 120577037
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride?
The IUPAC name of 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride (CID 120577618) is 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride?
The canonical SMILES for 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride?
The InChIKey is AAABGEPOEUASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-3-4-6-11(17-13(14)19)12(18)16-10-7-5-8-15-9(10)2;/h9-11,15H,3-8H2,1-2H3,(H,16,18)(H3,14,17,19);1H.
What are the key properties of 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride?
2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride is sourced from PubChem (CID 120577618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).