1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C18H25ClN2O2 — CID 807210

IUPAC1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-16-5-3-14(4-6-16)13-21-9-7-15(8-10-21)18(22)20-12-17-2-1-11-23-17/h3-6,15,17H,1-2,7-13H2,(H,20,22)/t17-/m0/s1
InChIKeyFAZMFTKCIPTXLK-KRWDZBQOSA-N
MW336.86 g/mol
LogP2.85
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 807210) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID807210
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-16-5-3-14(4-6-16)13-21-9-7-15(8-10-21)18(22)20-12-17-2-1-11-23-17/h3-6,15,17H,1-2,7-13H2,(H,20,22)/t17-/m0/s1
InChIKeyFAZMFTKCIPTXLK-KRWDZBQOSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 807210) is 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FAZMFTKCIPTXLK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-5-3-14(4-6-16)13-21-9-7-15(8-10-21)18(22)20-12-17-2-1-11-23-17/h3-6,15,17H,1-2,7-13H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 807210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).