N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide

C20H30N2O3 — CID 129398410

IUPACN-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCNCC1)[C@@H](OC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(22-20(23)17-7-11-21-12-8-17)19(16-5-3-2-4-6-16)25-18-9-13-24-14-10-18/h2-6,15,17-19,21H,7-14H2,1H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyHBMXKTJCYOHIPU-HNAYVOBHSA-N
MW346.47 g/mol
LogP2.43
Rot. Bonds6

About N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide

N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide (PubChem CID 129398410) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
PubChem CID129398410
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCNCC1)[C@@H](OC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(22-20(23)17-7-11-21-12-8-17)19(16-5-3-2-4-6-16)25-18-9-13-24-14-10-18/h2-6,15,17-19,21H,7-14H2,1H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyHBMXKTJCYOHIPU-HNAYVOBHSA-N
XLogP2.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 120639699
3-[methyl-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]carbamoyl]amino]propanoic acid
CID 122007367
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119343555
5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122048985
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
CID 133398414

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide (CID 129398410) is N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCNCC1)[C@@H](OC1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
The InChIKey is HBMXKTJCYOHIPU-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(22-20(23)17-7-11-21-12-8-17)19(16-5-3-2-4-6-16)25-18-9-13-24-14-10-18/h2-6,15,17-19,21H,7-14H2,1H3,(H,22,23)/t15-,19+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 129398410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).