N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

C22H29N3O2 — CID 97283111

IUPACN-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)CN1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H29N3O2/c1-24(15-20-19-11-5-6-12-21(19)27-23-20)22(26)16-25-13-7-10-18(14-25)17-8-3-2-4-9-17/h2-4,8-9,18H,5-7,10-16H2,1H3/t18-/m1/s1
InChIKeyCXDCPALFSJCKTH-GOSISDBHSA-N
MW367.49 g/mol
LogP3.39
Rot. Bonds5

About N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide (PubChem CID 97283111) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
PubChem CID97283111
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)CN1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H29N3O2/c1-24(15-20-19-11-5-6-12-21(19)27-23-20)22(26)16-25-13-7-10-18(14-25)17-8-3-2-4-9-17/h2-4,8-9,18H,5-7,10-16H2,1H3/t18-/m1/s1
InChIKeyCXDCPALFSJCKTH-GOSISDBHSA-N
XLogP3.39
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97203898
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97113287
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97113286
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
CID 72863820
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea
CID 126443872
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-[(4-fluorophenyl)methyl]-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570857
1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
CID 126442624

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide (CID 97283111) is N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide is CN(Cc1noc2c1CCCC2)C(=O)CN1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The InChIKey is CXDCPALFSJCKTH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(15-20-19-11-5-6-12-21(19)27-23-20)22(26)16-25-13-7-10-18(14-25)17-8-3-2-4-9-17/h2-4,8-9,18H,5-7,10-16H2,1H3/t18-/m1/s1.
What are the key properties of N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 97283111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).