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

C20H35N5O3 — CID 7164964

IUPAC(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)C1CCNCC1
InChIInChI=1S/C20H35N5O3/c21-18(26)16(12-14-4-2-1-3-5-14)24-19(27)17-13-23-10-11-25(17)20(28)15-6-8-22-9-7-15/h14-17,22-23H,1-13H2,(H2,21,26)(H,24,27)/t16-,17+/m0/s1
InChIKeyPPQWKYPCOGFBKK-DLBZAZTESA-N
MW393.53 g/mol
LogP-0.27
Rot. Bonds6

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

(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 7164964) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
PubChem CID7164964
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)C1CCNCC1
InChIInChI=1S/C20H35N5O3/c21-18(26)16(12-14-4-2-1-3-5-14)24-19(27)17-13-23-10-11-25(17)20(28)15-6-8-22-9-7-15/h14-17,22-23H,1-13H2,(H2,21,26)(H,24,27)/t16-,17+/m0/s1
InChIKeyPPQWKYPCOGFBKK-DLBZAZTESA-N
XLogP-0.27
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155529699
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)cyclopropanecarboxamide
CID 49788655
(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
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 155557819
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
N-Dicyclopropylmethyl-4-oxo-4-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-butyramide
CID 10692448
Cyclohexanecarboxylic acid (9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
CID 3217977
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24819132
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide (CID 7164964) is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide is NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)C1CCNCC1.
What is the InChIKey of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is PPQWKYPCOGFBKK-DLBZAZTESA-N. The full InChI is InChI=1S/C20H35N5O3/c21-18(26)16(12-14-4-2-1-3-5-14)24-19(27)17-13-23-10-11-25(17)20(28)15-6-8-22-9-7-15/h14-17,22-23H,1-13H2,(H2,21,26)(H,24,27)/t16-,17+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 393.53 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 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-(piperidine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 7164964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).