3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide

C29H33N3O4 — CID 93290995

IUPAC3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H33N3O4/c1-20(21-9-5-4-6-10-21)30-29(34)24-11-7-8-12-25(24)32-17-15-23(16-18-32)31-28(33)22-13-14-26(35-2)27(19-22)36-3/h4-14,19-20,23H,15-18H2,1-3H3,(H,30,34)(H,31,33)/t20-/m0/s1
InChIKeyYFCOIQHYXLKJFW-FQEVSTJZSA-N
MW487.60 g/mol
LogP4.59
Rot. Bonds8

About 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide

3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide (PubChem CID 93290995) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
PubChem CID93290995
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H33N3O4/c1-20(21-9-5-4-6-10-21)30-29(34)24-11-7-8-12-25(24)32-17-15-23(16-18-32)31-28(33)22-13-14-26(35-2)27(19-22)36-3/h4-14,19-20,23H,15-18H2,1-3H3,(H,30,34)(H,31,33)/t20-/m0/s1
InChIKeyYFCOIQHYXLKJFW-FQEVSTJZSA-N
XLogP4.59
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide (CID 93290995) is 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The InChIKey is YFCOIQHYXLKJFW-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-20(21-9-5-4-6-10-21)30-29(34)24-11-7-8-12-25(24)32-17-15-23(16-18-32)31-28(33)22-13-14-26(35-2)27(19-22)36-3/h4-14,19-20,23H,15-18H2,1-3H3,(H,30,34)(H,31,33)/t20-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide has a molecular weight of 487.60 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 93290995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).