N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide

C17H26N2O2 — CID 62919974

IUPACN-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCCC2CCCCN2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-16-8-5-6-14(12-16)17(20)19-11-9-15-7-3-4-10-18-15/h5-6,8,12-13,15,18H,3-4,7,9-11H2,1-2H3,(H,19,20)
InChIKeyMBMFGYYXAOUPBX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds6

About N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide

N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide (PubChem CID 62919974) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
PubChem CID62919974
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCCC2CCCCN2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-16-8-5-6-14(12-16)17(20)19-11-9-15-7-3-4-10-18-15/h5-6,8,12-13,15,18H,3-4,7,9-11H2,1-2H3,(H,19,20)
InChIKeyMBMFGYYXAOUPBX-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
CID 141311603
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide
CID 126449277
N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
CID 114301436
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide (CID 62919974) is N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCCC2CCCCN2)c1.
What is the InChIKey of N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide?
The InChIKey is MBMFGYYXAOUPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-16-8-5-6-14(12-16)17(20)19-11-9-15-7-3-4-10-18-15/h5-6,8,12-13,15,18H,3-4,7,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide?
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 62919974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).