N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide

C15H22ClN3O2 — CID 97039212

IUPACN-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide
SMILESC[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-12(20)11-18-6-8-19(9-7-18)15(21)17-10-13-2-4-14(16)5-3-13/h2-5,12,20H,6-11H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyFTMCHTAVGOIUQW-LBPRGKRZSA-N
MW311.81 g/mol
LogP1.55
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide (PubChem CID 97039212) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide
PubChem CID97039212
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide
SMILESC[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-12(20)11-18-6-8-19(9-7-18)15(21)17-10-13-2-4-14(16)5-3-13/h2-5,12,20H,6-11H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyFTMCHTAVGOIUQW-LBPRGKRZSA-N
XLogP1.55
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide (CID 97039212) is N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide is C[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide?
The InChIKey is FTMCHTAVGOIUQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-12(20)11-18-6-8-19(9-7-18)15(21)17-10-13-2-4-14(16)5-3-13/h2-5,12,20H,6-11H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[(2S)-2-hydroxypropyl]piperazine-1-carboxamide is sourced from PubChem (CID 97039212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).