2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride

C13H27ClN4O2 — CID 119460747

IUPAC2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-2-3-6-11(17-13(14)19)12(18)16-9-10-5-4-7-15-8-10;/h10-11,15H,2-9H2,1H3,(H,16,18)(H3,14,17,19);1H
InChIKeyMDKAGAHPTLDCOA-UHFFFAOYSA-N
MW306.84 g/mol
LogP0.75
Rot. Bonds7

About 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride

2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride (PubChem CID 119460747) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
PubChem CID119460747
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC Name2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-2-3-6-11(17-13(14)19)12(18)16-9-10-5-4-7-15-8-10;/h10-11,15H,2-9H2,1H3,(H,16,18)(H3,14,17,19);1H
InChIKeyMDKAGAHPTLDCOA-UHFFFAOYSA-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

(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride
CID 119557860
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-(carbamoylamino)-N-(3-methylpiperidin-4-yl)hexanamide
CID 120555425
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
CID 120577618
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride?
The IUPAC name of 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride (CID 119460747) is 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride.
What is the SMILES notation for 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride?
The canonical SMILES for 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride?
The InChIKey is MDKAGAHPTLDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-2-3-6-11(17-13(14)19)12(18)16-9-10-5-4-7-15-8-10;/h10-11,15H,2-9H2,1H3,(H,16,18)(H3,14,17,19);1H.
What are the key properties of 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride?
2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;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 2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride is sourced from PubChem (CID 119460747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).