N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide

C19H32N4O5 — CID 7050090

About N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide

N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide (PubChem CID 7050090) has the molecular formula C19H32N4O5 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
• PubChem CID: 7050090
• Molecular Formula: C19H32N4O5
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.24
• IUPAC Name: N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
• SMILES: CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)C2CCNCC2)[C@@H](O)[C@H](O)C1)C(N)=O
• InChI: InChI=1S/C19H32N4O5/c1-10(2)7-14(17(20)26)23-19(28)12-8-13(16(25)15(24)9-12)22-18(27)11-3-5-21-6-4-11/h8,10-11,13-16,21,24-25H,3-7,9H2,1-2H3,(H2,20,26)(H,22,27)(H,23,28)/t13-,14-,15-,16-/m1/s1
• InChIKey: JYOWWBBUAHBIJX-KLHDSHLOSA-N
• XLogP: -1.46
• TPSA: 153.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	-1.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?

The IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide (CID 7050090) is N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide is CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)C2CCNCC2)[C@@H](O)[C@H](O)C1)C(N)=O.

What is the InChIKey of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?

The InChIKey is JYOWWBBUAHBIJX-KLHDSHLOSA-N. The full InChI is InChI=1S/C19H32N4O5/c1-10(2)7-14(17(20)26)23-19(28)12-8-13(16(25)15(24)9-12)22-18(27)11-3-5-21-6-4-11/h8,10-11,13-16,21,24-25H,3-7,9H2,1-2H3,(H2,20,26)(H,22,27)(H,23,28)/t13-,14-,15-,16-/m1/s1.

What are the key properties of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?

N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of -1.46, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 7050090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).