(2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide

C30H44ClN7O2 — CID 10120682

About (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide

(2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide (PubChem CID 10120682) has the molecular formula C30H44ClN7O2 and a molecular weight of 570.18 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide
• PubChem CID: 10120682
• Molecular Formula: C30H44ClN7O2
• Molecular Weight: 570.18 g/mol
• Exact Mass: 569.32
• IUPAC Name: (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide
• SMILES: N[C@@H](C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)C1CCNCC1
• InChI: InChI=1S/C30H44ClN7O2/c31-25-8-6-22(7-9-25)18-26(36-28(39)27(32)23-10-14-33-15-11-23)29(40)37-16-12-30(13-17-37,19-38-21-34-20-35-38)24-4-2-1-3-5-24/h6-9,20-21,23-24,26-27,33H,1-5,10-19,32H2,(H,36,39)/t26-,27-/m1/s1
• InChIKey: WTEIGVRJUKCYLW-KAYWLYCHSA-N
• XLogP: 3.17
• TPSA: 118.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.18
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide?

The IUPAC name of (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide (CID 10120682) is (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide.

What is the SMILES notation for (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide?

The canonical SMILES for (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide is N[C@@H](C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)C1CCNCC1.

What is the InChIKey of (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide?

The InChIKey is WTEIGVRJUKCYLW-KAYWLYCHSA-N. The full InChI is InChI=1S/C30H44ClN7O2/c31-25-8-6-22(7-9-25)18-26(36-28(39)27(32)23-10-14-33-15-11-23)29(40)37-16-12-30(13-17-37,19-38-21-34-20-35-38)24-4-2-1-3-5-24/h6-9,20-21,23-24,26-27,33H,1-5,10-19,32H2,(H,36,39)/t26-,27-/m1/s1.

What are the key properties of (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide?

(2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide has a molecular weight of 570.18 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 10120682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).