3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide

C18H28N2O2 — CID 17249842

IUPAC3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-4-10-20-11-8-16(9-12-20)19-18(21)15-6-5-7-17(13-15)22-14(2)3/h5-7,13-14,16H,4,8-12H2,1-3H3,(H,19,21)
InChIKeyWSQIGWLUTUAFPG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.08
Rot. Bonds6

About 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide

3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 17249842) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID17249842
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-4-10-20-11-8-16(9-12-20)19-18(21)15-6-5-7-17(13-15)22-14(2)3/h5-7,13-14,16H,4,8-12H2,1-3H3,(H,19,21)
InChIKeyWSQIGWLUTUAFPG-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
1-ethyl-2-[(3-propan-2-yloxyphenyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019975
N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide
CID 111017805
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide (CID 17249842) is 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cccc(OC(C)C)c2)CC1.
What is the InChIKey of 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is WSQIGWLUTUAFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-10-20-11-8-16(9-12-20)19-18(21)15-6-5-7-17(13-15)22-14(2)3/h5-7,13-14,16H,4,8-12H2,1-3H3,(H,19,21).
What are the key properties of 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide?
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 17249842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).