(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide

C19H29N3O2 — CID 119880550

IUPAC(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCN(CC(O)c2ccccc2)CC1)[C@@H]1CCCN1
InChIInChI=1S/C19H29N3O2/c23-18(16-5-2-1-3-6-16)14-22-11-8-15(9-12-22)13-21-19(24)17-7-4-10-20-17/h1-3,5-6,15,17-18,20,23H,4,7-14H2,(H,21,24)/t17-,18?/m0/s1
InChIKeyOCVUJKYLVUXFPS-ZENAZSQFSA-N
MW331.46 g/mol
LogP1.30
Rot. Bonds6

About (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119880550) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID119880550
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCN(CC(O)c2ccccc2)CC1)[C@@H]1CCCN1
InChIInChI=1S/C19H29N3O2/c23-18(16-5-2-1-3-6-16)14-22-11-8-15(9-12-22)13-21-19(24)17-7-4-10-20-17/h1-3,5-6,15,17-18,20,23H,4,7-14H2,(H,21,24)/t17-,18?/m0/s1
InChIKeyOCVUJKYLVUXFPS-ZENAZSQFSA-N
XLogP1.30
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 99820905
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880024
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119880522
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54898994
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide (CID 119880550) is (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1CCN(CC(O)c2ccccc2)CC1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is OCVUJKYLVUXFPS-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(16-5-2-1-3-6-16)14-22-11-8-15(9-12-22)13-21-19(24)17-7-4-10-20-17/h1-3,5-6,15,17-18,20,23H,4,7-14H2,(H,21,24)/t17-,18?/m0/s1.
What are the key properties of (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119880550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).