trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide

C24H30N4O3 — CID 164544161

About trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 164544161) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide
• PubChem CID: 164544161
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide
• SMILES: N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C24H30N4O3/c25-14-18(12-17-7-4-10-26-22(17)29)27-24(31)21(11-15-8-9-15)28-23(30)20-13-19(20)16-5-2-1-3-6-16/h1-3,5-6,15,17-21H,4,7-13H2,(H,26,29)(H,27,31)(H,28,30)/t17-,18-,19-,20+,21-/m0/s1
• InChIKey: HUSDWYWIEVWNFX-FCMAGTKHSA-N
• XLogP: 2.00
• TPSA: 111.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide (CID 164544161) is trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide is N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1.

What is the InChIKey of trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide?

The InChIKey is HUSDWYWIEVWNFX-FCMAGTKHSA-N. The full InChI is InChI=1S/C24H30N4O3/c25-14-18(12-17-7-4-10-26-22(17)29)27-24(31)21(11-15-8-9-15)28-23(30)20-13-19(20)16-5-2-1-3-6-16/h1-3,5-6,15,17-21H,4,7-13H2,(H,26,29)(H,27,31)(H,28,30)/t17-,18-,19-,20+,21-/m0/s1.

What are the key properties of trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide?

trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 164544161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).