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

C18H33N5O3 — CID 11912140

IUPAC(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C18H33N5O3/c1-12(2)21-18(26)23-9-8-20-11-15(23)17(25)22-14(16(19)24)10-13-6-4-3-5-7-13/h12-15,20H,3-11H2,1-2H3,(H2,19,24)(H,21,26)(H,22,25)/t14-,15+/m0/s1
InChIKeyPYTAXCIWZXVYOI-LSDHHAIUSA-N
MW367.49 g/mol
LogP0.32
Rot. Bonds6

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

(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide (PubChem CID 11912140) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide
PubChem CID11912140
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C18H33N5O3/c1-12(2)21-18(26)23-9-8-20-11-15(23)17(25)22-14(16(19)24)10-13-6-4-3-5-7-13/h12-15,20H,3-11H2,1-2H3,(H2,19,24)(H,21,26)(H,22,25)/t14-,15+/m0/s1
InChIKeyPYTAXCIWZXVYOI-LSDHHAIUSA-N
XLogP0.32
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.32
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-propan-2-ylpiperazine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide (CID 11912140) is (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide is CC(C)NC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide?
The InChIKey is PYTAXCIWZXVYOI-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-12(2)21-18(26)23-9-8-20-11-15(23)17(25)22-14(16(19)24)10-13-6-4-3-5-7-13/h12-15,20H,3-11H2,1-2H3,(H2,19,24)(H,21,26)(H,22,25)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide?
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 0.32, 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-propan-2-ylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 11912140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).