N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

C19H27N3O3 — CID 146122921

IUPACN-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NCc2cccc(O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H27N3O3/c23-17-5-3-4-16(12-17)14-20-19(25)22-10-6-15(7-11-22)13-18(24)21-8-1-2-9-21/h3-5,12,15,23H,1-2,6-11,13-14H2,(H,20,25)
InChIKeyYKNPNMAXEJJDHJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.33
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 146122921) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID146122921
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NCc2cccc(O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H27N3O3/c23-17-5-3-4-16(12-17)14-20-19(25)22-10-6-15(7-11-22)13-18(24)21-8-1-2-9-21/h3-5,12,15,23H,1-2,6-11,13-14H2,(H,20,25)
InChIKeyYKNPNMAXEJJDHJ-UHFFFAOYSA-N
XLogP2.33
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
N-benzylazonane-1-carboxamide
CID 130689649
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (CID 146122921) is N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is O=C(CC1CCN(C(=O)NCc2cccc(O)c2)CC1)N1CCCC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is YKNPNMAXEJJDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17-5-3-4-16(12-17)14-20-19(25)22-10-6-15(7-11-22)13-18(24)21-8-1-2-9-21/h3-5,12,15,23H,1-2,6-11,13-14H2,(H,20,25).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 146122921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).