(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride

C13H27ClN4O2 — CID 119557860

IUPAC(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride
SMILESCCC[C@@H](NC(N)=O)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-2-4-11(17-13(14)19)12(18)16-8-6-10-5-3-7-15-9-10;/h10-11,15H,2-9H2,1H3,(H,16,18)(H3,14,17,19);1H/t10?,11-;/m1./s1
InChIKeyMZRYOUNNXVAXAD-PSDUUTOMSA-N
MW306.84 g/mol
LogP0.75
Rot. Bonds7

About (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride

(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride (PubChem CID 119557860) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride
PubChem CID119557860
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC Name(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride
SMILESCCC[C@@H](NC(N)=O)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-2-4-11(17-13(14)19)12(18)16-8-6-10-5-3-7-15-9-10;/h10-11,15H,2-9H2,1H3,(H,16,18)(H3,14,17,19);1H/t10?,11-;/m1./s1
InChIKeyMZRYOUNNXVAXAD-PSDUUTOMSA-N
XLogP0.75
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
CID 119460747
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
N-[4-methylsulfanyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide;hydrochloride
CID 119556197
2-acetamido-2-cyclopentyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119555580
1-ethyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119559587
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
2-butoxy-N-(2-piperidin-3-ylethyl)acetamide
CID 119556293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride (CID 119557860) is (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride is CCC[C@@H](NC(N)=O)C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride?
The InChIKey is MZRYOUNNXVAXAD-PSDUUTOMSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-2-4-11(17-13(14)19)12(18)16-8-6-10-5-3-7-15-9-10;/h10-11,15H,2-9H2,1H3,(H,16,18)(H3,14,17,19);1H/t10?,11-;/m1./s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride?
(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119557860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).