(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

C16H23N3O3 — CID 163339915

IUPAC(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(CNC(=O)N2C[C@H]3CN(C)C[C@@H](C2)O3)cc1
InChIInChI=1S/C16H23N3O3/c1-18-8-14-10-19(11-15(9-18)22-14)16(20)17-7-12-3-5-13(21-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,17,20)/t14-,15+
InChIKeyLTWRNEBSRAYLQJ-GASCZTMLSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds3

About (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 163339915) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID163339915
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(CNC(=O)N2C[C@H]3CN(C)C[C@@H](C2)O3)cc1
InChIInChI=1S/C16H23N3O3/c1-18-8-14-10-19(11-15(9-18)22-14)16(20)17-7-12-3-5-13(21-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,17,20)/t14-,15+
InChIKeyLTWRNEBSRAYLQJ-GASCZTMLSA-N
XLogP0.92
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
CID 90593590
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
CID 134161071
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (CID 163339915) is (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is COc1ccc(CNC(=O)N2C[C@H]3CN(C)C[C@@H](C2)O3)cc1.
What is the InChIKey of (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is LTWRNEBSRAYLQJ-GASCZTMLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-8-14-10-19(11-15(9-18)22-14)16(20)17-7-12-3-5-13(21-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,17,20)/t14-,15+.
What are the key properties of (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 163339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).