N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide

C18H26ClN3O — CID 166429844

IUPACN-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CCCN2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O/c1-14-8-11-21(12-9-14)18(23)20-13-17-3-2-10-22(17)16-6-4-15(19)5-7-16/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyFWBRVMLJACGKIF-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.75
Rot. Bonds3

About N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide

N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 166429844) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
PubChem CID166429844
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC NameN-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CCCN2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O/c1-14-8-11-21(12-9-14)18(23)20-13-17-3-2-10-22(17)16-6-4-15(19)5-7-16/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyFWBRVMLJACGKIF-UHFFFAOYSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide (CID 166429844) is N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCC2CCCN2c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is FWBRVMLJACGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-14-8-11-21(12-9-14)18(23)20-13-17-3-2-10-22(17)16-6-4-15(19)5-7-16/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23).
What are the key properties of N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide?
N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 335.88 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 166429844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).