(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide

C18H27N3O3 — CID 124704379

IUPAC(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CNCCO1
InChIInChI=1S/C18H27N3O3/c22-16-5-8-21(9-6-16)13-15-4-2-1-3-14(15)11-20-18(23)17-12-19-7-10-24-17/h1-4,16-17,19,22H,5-13H2,(H,20,23)/t17-/m0/s1
InChIKeySGPLKVKODDNFHZ-KRWDZBQOSA-N
MW333.43 g/mol
LogP0.25
Rot. Bonds5

About (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide

(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide (PubChem CID 124704379) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
PubChem CID124704379
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CNCCO1
InChIInChI=1S/C18H27N3O3/c22-16-5-8-21(9-6-16)13-15-4-2-1-3-14(15)11-20-18(23)17-12-19-7-10-24-17/h1-4,16-17,19,22H,5-13H2,(H,20,23)/t17-/m0/s1
InChIKeySGPLKVKODDNFHZ-KRWDZBQOSA-N
XLogP0.25
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124704452
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
CID 119888627
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide (CID 124704379) is (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide is O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is SGPLKVKODDNFHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-16-5-8-21(9-6-16)13-15-4-2-1-3-14(15)11-20-18(23)17-12-19-7-10-24-17/h1-4,16-17,19,22H,5-13H2,(H,20,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 124704379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).