(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide

C14H17N3O2 — CID 94196147

IUPAC(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1c1nc2ccccc2o1
InChIInChI=1S/C14H17N3O2/c1-9-6-7-10(13(15)18)8-17(9)14-16-11-4-2-3-5-12(11)19-14/h2-5,9-10H,6-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1
InChIKeyCZAWRSYGCDZMJB-ZJUUUORDSA-N
MW259.31 g/mol
LogP1.92
Rot. Bonds2

About (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide

(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 94196147) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide
PubChem CID94196147
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1c1nc2ccccc2o1
InChIInChI=1S/C14H17N3O2/c1-9-6-7-10(13(15)18)8-17(9)14-16-11-4-2-3-5-12(11)19-14/h2-5,9-10H,6-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1
InChIKeyCZAWRSYGCDZMJB-ZJUUUORDSA-N
XLogP1.92
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S)-1-[4-(1,3-benzoxazol-2-yl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 95584989
1-[4-(1,3-benzoxazol-2-yl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 56820047
1-[1-[1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121154079
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
3-[4-(1,3-benzoxazol-2-yl)-3-methylpiperazin-1-yl]propanoic acid
CID 154780576
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 133271082
1-(3-amino-6-methyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 81131851
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890523
1-(1,3-benzoxazol-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 54895616
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
1-[3-(1,3-benzoxazol-2-yl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 126766527

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide (CID 94196147) is (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1c1nc2ccccc2o1.
What is the InChIKey of (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is CZAWRSYGCDZMJB-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-7-10(13(15)18)8-17(9)14-16-11-4-2-3-5-12(11)19-14/h2-5,9-10H,6-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1.
What are the key properties of (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 94196147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).