3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide

C34H39N3O3 — CID 20850269

IUPAC3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C(=O)c2cccc(N(C(=O)Cc3ccccc3)C(=O)Cc3ccccc3)c2)C2CC2)CC1
InChIInChI=1S/C34H39N3O3/c1-2-20-35-21-18-30(19-22-35)36(29-16-17-29)34(40)28-14-9-15-31(25-28)37(32(38)23-26-10-5-3-6-11-26)33(39)24-27-12-7-4-8-13-27/h3-15,25,29-30H,2,16-24H2,1H3
InChIKeyBVMJHARQSFIZOB-UHFFFAOYSA-N
MW537.70 g/mol
LogP5.51
Rot. Bonds10

About 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide

3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 20850269) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID20850269
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC Name3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C(=O)c2cccc(N(C(=O)Cc3ccccc3)C(=O)Cc3ccccc3)c2)C2CC2)CC1
InChIInChI=1S/C34H39N3O3/c1-2-20-35-21-18-30(19-22-35)36(29-16-17-29)34(40)28-14-9-15-31(25-28)37(32(38)23-26-10-5-3-6-11-26)33(39)24-27-12-7-4-8-13-27/h3-15,25,29-30H,2,16-24H2,1H3
InChIKeyBVMJHARQSFIZOB-UHFFFAOYSA-N
XLogP5.51
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide (CID 20850269) is 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C(=O)c2cccc(N(C(=O)Cc3ccccc3)C(=O)Cc3ccccc3)c2)C2CC2)CC1.
What is the InChIKey of 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is BVMJHARQSFIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O3/c1-2-20-35-21-18-30(19-22-35)36(29-16-17-29)34(40)28-14-9-15-31(25-28)37(32(38)23-26-10-5-3-6-11-26)33(39)24-27-12-7-4-8-13-27/h3-15,25,29-30H,2,16-24H2,1H3.
What are the key properties of 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide?
3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 537.70 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 20850269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).