N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride

C15H31ClN4O2 — CID 119917040

IUPACN-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-4-11(2)18-14(20)12(3)19-9-5-6-13(10-19)15(21)17-8-7-16;/h11-13H,4-10,16H2,1-3H3,(H,17,21)(H,18,20);1H
InChIKeyYIOPGSVXKBHKGE-UHFFFAOYSA-N
MW334.89 g/mol
LogP0.50
Rot. Bonds7

About N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119917040) has the molecular formula C15H31ClN4O2 and a molecular weight of 334.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119917040
Molecular FormulaC15H31ClN4O2
Molecular Weight334.89 g/mol
Exact Mass334.21
IUPAC NameN-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-4-11(2)18-14(20)12(3)19-9-5-6-13(10-19)15(21)17-8-7-16;/h11-13H,4-10,16H2,1-3H3,(H,17,21)(H,18,20);1H
InChIKeyYIOPGSVXKBHKGE-UHFFFAOYSA-N
XLogP0.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide
CID 63252237
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916645
N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55258571

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119917040) is N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride is CCC(C)NC(=O)C(C)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is YIOPGSVXKBHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.ClH/c1-4-11(2)18-14(20)12(3)19-9-5-6-13(10-19)15(21)17-8-7-16;/h11-13H,4-10,16H2,1-3H3,(H,17,21)(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119917040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).