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

C15H31ClN4O2 — CID 119916714

IUPACN-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C(C)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-4-18(5-2)15(21)12(3)19-10-6-7-13(11-19)14(20)17-9-8-16;/h12-13H,4-11,16H2,1-3H3,(H,17,20);1H
InChIKeySTFXCPNFRPBGSI-UHFFFAOYSA-N
MW334.89 g/mol
LogP0.45
Rot. Bonds7

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

N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119916714) has the molecular formula C15H31ClN4O2 and a molecular weight of 334.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119916714
Molecular FormulaC15H31ClN4O2
Molecular Weight334.89 g/mol
Exact Mass334.21
IUPAC NameN-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C(C)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-4-18(5-2)15(21)12(3)19-10-6-7-13(11-19)14(20)17-9-8-16;/h12-13H,4-11,16H2,1-3H3,(H,17,20);1H
InChIKeySTFXCPNFRPBGSI-UHFFFAOYSA-N
XLogP0.45
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide
CID 63252237
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-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 63754604

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119916714) is N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride is CCN(CC)C(=O)C(C)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is STFXCPNFRPBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.ClH/c1-4-18(5-2)15(21)12(3)19-10-6-7-13(11-19)14(20)17-9-8-16;/h12-13H,4-11,16H2,1-3H3,(H,17,20);1H.
What are the key properties of N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).