N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride

C12H24ClN3O2 — CID 119428545

IUPACN-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
SMILESCCNC(=O)CCCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-14-11(16)6-3-7-12(17)15-10-5-4-8-13-9-10;/h10,13H,2-9H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyUTMSJVHTSSOHHY-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.58
Rot. Bonds6

About N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride

N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride (PubChem CID 119428545) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
PubChem CID119428545
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
SMILESCCNC(=O)CCCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-14-11(16)6-3-7-12(17)15-10-5-4-8-13-9-10;/h10,13H,2-9H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyUTMSJVHTSSOHHY-UHFFFAOYSA-N
XLogP0.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
N-piperidin-3-ylpropanamide
CID 3520588
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-(azepan-4-yl)dodecanamide
CID 105060891
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
CID 104982434
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride?
The IUPAC name of N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride (CID 119428545) is N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride.
What is the SMILES notation for N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride?
The canonical SMILES for N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride is CCNC(=O)CCCC(=O)NC1CCCNC1.Cl.
What is the InChIKey of N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride?
The InChIKey is UTMSJVHTSSOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-2-14-11(16)6-3-7-12(17)15-10-5-4-8-13-9-10;/h10,13H,2-9H2,1H3,(H,14,16)(H,15,17);1H.
What are the key properties of N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride?
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride is sourced from PubChem (CID 119428545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).