(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide

C21H37N5O3 — CID 7673767

IUPAC(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C21H37N5O3/c22-19(27)17(13-15-7-3-1-4-8-15)25-20(28)18-14-23-11-12-26(18)21(29)24-16-9-5-2-6-10-16/h15-18,23H,1-14H2,(H2,22,27)(H,24,29)(H,25,28)/t17-,18+/m0/s1
InChIKeyMLYITOOPLQDKGA-ZWKOTPCHSA-N
MW407.56 g/mol
LogP1.24
Rot. Bonds6

About (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide

(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide (PubChem CID 7673767) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide
PubChem CID7673767
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC Name(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C21H37N5O3/c22-19(27)17(13-15-7-3-1-4-8-15)25-20(28)18-14-23-11-12-26(18)21(29)24-16-9-5-2-6-10-16/h15-18,23H,1-14H2,(H2,22,27)(H,24,29)(H,25,28)/t17-,18+/m0/s1
InChIKeyMLYITOOPLQDKGA-ZWKOTPCHSA-N
XLogP1.24
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide (CID 7673767) is (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide is NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide?
The InChIKey is MLYITOOPLQDKGA-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H37N5O3/c22-19(27)17(13-15-7-3-1-4-8-15)25-20(28)18-14-23-11-12-26(18)21(29)24-16-9-5-2-6-10-16/h15-18,23H,1-14H2,(H2,22,27)(H,24,29)(H,25,28)/t17-,18+/m0/s1.
What are the key properties of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide?
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide has a molecular weight of 407.56 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 7673767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).