N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide

C18H21N3O3 — CID 135144227

IUPACN-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(CO)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H21N3O3/c22-13-14-2-1-3-15(12-14)19-18(24)21-10-8-20(9-11-21)16-4-6-17(23)7-5-16/h1-7,12,22-23H,8-11,13H2,(H,19,24)
InChIKeyXBDYJNSWUOSABI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.24
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide

N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 135144227) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID135144227
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(CO)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H21N3O3/c22-13-14-2-1-3-15(12-14)19-18(24)21-10-8-20(9-11-21)16-4-6-17(23)7-5-16/h1-7,12,22-23H,8-11,13H2,(H,19,24)
InChIKeyXBDYJNSWUOSABI-UHFFFAOYSA-N
XLogP2.24
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68778002
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86862579

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide (CID 135144227) is N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide is O=C(Nc1cccc(CO)c1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is XBDYJNSWUOSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-13-14-2-1-3-15(12-14)19-18(24)21-10-8-20(9-11-21)16-4-6-17(23)7-5-16/h1-7,12,22-23H,8-11,13H2,(H,19,24).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 135144227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).