N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride

C16H24Cl3N3O — CID 119899482

IUPACN-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2cccc(Cl)c2)C1)C1CCCNC1
InChIInChI=1S/C16H22ClN3O.2ClH/c17-13-4-1-5-15(9-13)20-8-6-14(11-20)19-16(21)12-3-2-7-18-10-12;;/h1,4-5,9,12,14,18H,2-3,6-8,10-11H2,(H,19,21);2*1H
InChIKeyRMOUOIUAJMMDEE-UHFFFAOYSA-N
MW380.75 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride

N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119899482) has the molecular formula C16H24Cl3N3O and a molecular weight of 380.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119899482
Molecular FormulaC16H24Cl3N3O
Molecular Weight380.75 g/mol
Exact Mass379.10
IUPAC NameN-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2cccc(Cl)c2)C1)C1CCCNC1
InChIInChI=1S/C16H22ClN3O.2ClH/c17-13-4-1-5-15(9-13)20-8-6-14(11-20)19-16(21)12-3-2-7-18-10-12;;/h1,4-5,9,12,14,18H,2-3,6-8,10-11H2,(H,19,21);2*1H
InChIKeyRMOUOIUAJMMDEE-UHFFFAOYSA-N
XLogP2.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
CID 119886059
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119899510
(2R,3S)-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942745
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119899508
3-[[1-(3-chlorophenyl)pyrrolidin-3-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119149291
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
5-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylbenzamide;dihydrochloride
CID 120647736
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride (CID 119899482) is N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(c2cccc(Cl)c2)C1)C1CCCNC1.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is RMOUOIUAJMMDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O.2ClH/c17-13-4-1-5-15(9-13)20-8-6-14(11-20)19-16(21)12-3-2-7-18-10-12;;/h1,4-5,9,12,14,18H,2-3,6-8,10-11H2,(H,19,21);2*1H.
What are the key properties of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride?
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 380.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119899482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).