oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate

C16H30N2O3 — CID 100763040

IUPACoxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate
SMILESC[C@H]1C[C@H](C)CN(CCCNC(=O)OC2CCOCC2)C1
InChIInChI=1S/C16H30N2O3/c1-13-10-14(2)12-18(11-13)7-3-6-17-16(19)21-15-4-8-20-9-5-15/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyHGDOULNXMSJILF-KBPBESRZSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds5

About oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate

oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate (PubChem CID 100763040) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate
PubChem CID100763040
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameoxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate
SMILESC[C@H]1C[C@H](C)CN(CCCNC(=O)OC2CCOCC2)C1
InChIInChI=1S/C16H30N2O3/c1-13-10-14(2)12-18(11-13)7-3-6-17-16(19)21-15-4-8-20-9-5-15/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyHGDOULNXMSJILF-KBPBESRZSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
CID 78891727
7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119851231
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51499028
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate
CID 139822061
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
1-(cyclopropylmethyl)-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methylguanidine
CID 111870571
1-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 47038651
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate?
The IUPAC name of oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate (CID 100763040) is oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate.
What is the SMILES notation for oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate?
The canonical SMILES for oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate is C[C@H]1C[C@H](C)CN(CCCNC(=O)OC2CCOCC2)C1.
What is the InChIKey of oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate?
The InChIKey is HGDOULNXMSJILF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13-10-14(2)12-18(11-13)7-3-6-17-16(19)21-15-4-8-20-9-5-15/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate?
oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate is sourced from PubChem (CID 100763040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).