(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide

C22H31N3O2 — CID 124786889

About (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide

(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 124786889) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide
• PubChem CID: 124786889
• Molecular Formula: C22H31N3O2
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.24
• IUPAC Name: (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide
• SMILES: O=C(CN1CCC[C@@H](C(=O)NCC2CC2)C1)N[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C22H31N3O2/c26-21(24-20-9-3-6-17-5-1-2-8-19(17)20)15-25-12-4-7-18(14-25)22(27)23-13-16-10-11-16/h1-2,5,8,16,18,20H,3-4,6-7,9-15H2,(H,23,27)(H,24,26)/t18-,20+/m1/s1
• InChIKey: FJQHNQMZQRWMAE-QUCCMNQESA-N
• XLogP: 2.42
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide (CID 124786889) is (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide is O=C(CN1CCC[C@@H](C(=O)NCC2CC2)C1)N[C@H]1CCCc2ccccc21.

What is the InChIKey of (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide?

The InChIKey is FJQHNQMZQRWMAE-QUCCMNQESA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(24-20-9-3-6-17-5-1-2-8-19(17)20)15-25-12-4-7-18(14-25)22(27)23-13-16-10-11-16/h1-2,5,8,16,18,20H,3-4,6-7,9-15H2,(H,23,27)(H,24,26)/t18-,20+/m1/s1.

What are the key properties of (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide?

(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 124786889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).