N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide

C21H32N2O2 — CID 94823320

IUPACN-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
SMILESCC1CCN([C@@H](C)CNC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C21H32N2O2/c1-17-8-12-23(13-9-17)18(2)16-22-20(24)21(10-14-25-15-11-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyHVZQLSBIWUYKOV-SFHVURJKSA-N
MW344.50 g/mol
LogP2.97
Rot. Bonds5

About N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide

N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide (PubChem CID 94823320) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
PubChem CID94823320
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
SMILESCC1CCN([C@@H](C)CNC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C21H32N2O2/c1-17-8-12-23(13-9-17)18(2)16-22-20(24)21(10-14-25-15-11-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyHVZQLSBIWUYKOV-SFHVURJKSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 56684429
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide
CID 120813691
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-(dimethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 110620673
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
CID 46978034
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 110301812

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide (CID 94823320) is N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide is CC1CCN([C@@H](C)CNC(=O)C2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide?
The InChIKey is HVZQLSBIWUYKOV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-8-12-23(13-9-17)18(2)16-22-20(24)21(10-14-25-15-11-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide?
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 94823320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).