N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide

C19H28N4O3 — CID 126453906

IUPACN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H28N4O3/c24-15-17-8-4-5-10-21(17)11-9-20-19(26)22-12-13-23(18(25)14-22)16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H,20,26)/t17-/m0/s1
InChIKeyMNYLVAZPWZWLRR-KRWDZBQOSA-N
MW360.46 g/mol
LogP0.89
Rot. Bonds5

About N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide

N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide (PubChem CID 126453906) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
PubChem CID126453906
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H28N4O3/c24-15-17-8-4-5-10-21(17)11-9-20-19(26)22-12-13-23(18(25)14-22)16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H,20,26)/t17-/m0/s1
InChIKeyMNYLVAZPWZWLRR-KRWDZBQOSA-N
XLogP0.89
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide (CID 126453906) is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide is O=C(NCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
The InChIKey is MNYLVAZPWZWLRR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-15-17-8-4-5-10-21(17)11-9-20-19(26)22-12-13-23(18(25)14-22)16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H,20,26)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 126453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).