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

C22H37N5O4 — CID 11912128

IUPAC(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C22H37N5O4/c1-15(28)27-12-11-26(22(31)17-7-9-24-10-8-17)14-19(27)21(30)25-18(20(23)29)13-16-5-3-2-4-6-16/h16-19,24H,2-14H2,1H3,(H2,23,29)(H,25,30)/t18-,19+/m0/s1
InChIKeyOWSSYRIMMJEDRW-RBUKOAKNSA-N
MW435.57 g/mol
LogP-0.01
Rot. Bonds6

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

(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 11912128) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
PubChem CID11912128
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C22H37N5O4/c1-15(28)27-12-11-26(22(31)17-7-9-24-10-8-17)14-19(27)21(30)25-18(20(23)29)13-16-5-3-2-4-6-16/h16-19,24H,2-14H2,1H3,(H2,23,29)(H,25,30)/t18-,19+/m0/s1
InChIKeyOWSSYRIMMJEDRW-RBUKOAKNSA-N
XLogP-0.01
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

Cyclohexanecarboxylic acid (9-butyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
CID 3218215
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide
CID 49788727
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)butyramide
CID 52941697
cyclo[Aoda-Asp(tBu)(tBu)-Ile-D-Pip]
CID 56675096
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
Chemistry 67
CID 53299703
Cyclohexanecarboxylic acid (9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
CID 3217977
cyclo[Aoda-Asp(decyl)(decyl)-Ile-D-Pip]
CID 56668202
(2S)-1-butanoyl-N-[(2S)-3-cyclohexyl-1-[[2-methyl-1-[[2-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[3-oxo-3-[[(2S)-1-piperazin-1-ylpropan-2-yl]amino]propyl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 156020409
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide (CID 11912128) is (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is OWSSYRIMMJEDRW-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-15(28)27-12-11-26(22(31)17-7-9-24-10-8-17)14-19(27)21(30)25-18(20(23)29)13-16-5-3-2-4-6-16/h16-19,24H,2-14H2,1H3,(H2,23,29)(H,25,30)/t18-,19+/m0/s1.
What are the key properties of (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 11912128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).