N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride

C11H21Cl2N3O — CID 87110465

IUPACN-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCl)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H20ClN3O.ClH/c12-13-11(16)15-8-4-10(5-9-15)14-6-2-1-3-7-14;/h10H,1-9H2,(H,13,16);1H
InChIKeyLOBJLVPJQQUIJN-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.22
Rot. Bonds1

About N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride

N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride (PubChem CID 87110465) has the molecular formula C11H21Cl2N3O and a molecular weight of 282.21 g/mol. Its IUPAC name is N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
PubChem CID87110465
Molecular FormulaC11H21Cl2N3O
Molecular Weight282.21 g/mol
Exact Mass281.11
IUPAC NameN-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCl)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H20ClN3O.ClH/c12-13-11(16)15-8-4-10(5-9-15)14-6-2-1-3-7-14;/h10H,1-9H2,(H,13,16);1H
InChIKeyLOBJLVPJQQUIJN-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride
CID 22727518
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride (CID 87110465) is N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride is Cl.O=C(NCl)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is LOBJLVPJQQUIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O.ClH/c12-13-11(16)15-8-4-10(5-9-15)14-6-2-1-3-7-14;/h10H,1-9H2,(H,13,16);1H.
What are the key properties of N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride?
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 282.21 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 87110465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).