N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride

C12H23ClN2O — CID 119428022

IUPACN-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCC1(C(=O)NC2CCCNC2)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-5-12(6-7-12)11(15)14-10-4-3-8-13-9-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyKDZORJJSXATJAG-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.86
Rot. Bonds4

About N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride

N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119428022) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119428022
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCC1(C(=O)NC2CCCNC2)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-5-12(6-7-12)11(15)14-10-4-3-8-13-9-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyKDZORJJSXATJAG-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
CID 63924517
N-piperidin-3-ylpropanamide
CID 3520588
2-methyl-N-piperidin-3-ylthiolane-2-carboxamide
CID 81452924
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55247011
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
1-(2-methoxyethyl)-N-piperidin-4-ylcyclobutane-1-carboxamide;hydrochloride
CID 119389324
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride (CID 119428022) is N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride is CCCC1(C(=O)NC2CCCNC2)CC1.Cl.
What is the InChIKey of N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is KDZORJJSXATJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-2-5-12(6-7-12)11(15)14-10-4-3-8-13-9-10;/h10,13H,2-9H2,1H3,(H,14,15);1H.
What are the key properties of N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride?
N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119428022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).