(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide

C20H28N2O3 — CID 129429786

IUPAC(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CCCc2ccccc2)O1
InChIInChI=1S/C20H28N2O3/c21-19(23)17-12-13-18(25-17)20(24)22-14-5-4-10-16(22)11-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14H2,(H2,21,23)/t16-,17-,18-/m0/s1
InChIKeyNMTAUGKBRACVCE-BZSNNMDCSA-N
MW344.45 g/mol
LogP2.42
Rot. Bonds6

About (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide

(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide (PubChem CID 129429786) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide
PubChem CID129429786
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CCCc2ccccc2)O1
InChIInChI=1S/C20H28N2O3/c21-19(23)17-12-13-18(25-17)20(24)22-14-5-4-10-16(22)11-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14H2,(H2,21,23)/t16-,17-,18-/m0/s1
InChIKeyNMTAUGKBRACVCE-BZSNNMDCSA-N
XLogP2.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 120791374
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330585

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide (CID 129429786) is (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide is NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CCCc2ccccc2)O1.
What is the InChIKey of (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide?
The InChIKey is NMTAUGKBRACVCE-BZSNNMDCSA-N. The full InChI is InChI=1S/C20H28N2O3/c21-19(23)17-12-13-18(25-17)20(24)22-14-5-4-10-16(22)11-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14H2,(H2,21,23)/t16-,17-,18-/m0/s1.
What are the key properties of (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide?
(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide is sourced from PubChem (CID 129429786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).