(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide

C19H33N5O4 — CID 7673727

IUPAC(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)N1CCOCC1
InChIInChI=1S/C19H33N5O4/c20-17(25)15(12-14-4-2-1-3-5-14)22-18(26)16-13-21-6-7-24(16)19(27)23-8-10-28-11-9-23/h14-16,21H,1-13H2,(H2,20,25)(H,22,26)/t15-,16+/m0/s1
InChIKeyHNTBQUTUVVRPPK-JKSUJKDBSA-N
MW395.50 g/mol
LogP-0.35
Rot. Bonds5

About (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide

(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 7673727) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
PubChem CID7673727
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)N1CCOCC1
InChIInChI=1S/C19H33N5O4/c20-17(25)15(12-14-4-2-1-3-5-14)22-18(26)16-13-21-6-7-24(16)19(27)23-8-10-28-11-9-23/h14-16,21H,1-13H2,(H2,20,25)(H,22,26)/t15-,16+/m0/s1
InChIKeyHNTBQUTUVVRPPK-JKSUJKDBSA-N
XLogP-0.35
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide (CID 7673727) is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide is NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)N1CCOCC1.
What is the InChIKey of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is HNTBQUTUVVRPPK-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H33N5O4/c20-17(25)15(12-14-4-2-1-3-5-14)22-18(26)16-13-21-6-7-24(16)19(27)23-8-10-28-11-9-23/h14-16,21H,1-13H2,(H2,20,25)(H,22,26)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide?
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 7673727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).