(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide

C24H39N5O3 — CID 51928773

IUPAC(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1
InChIInChI=1S/C24H39N5O3/c1-15(21(30)25-20-3-4-20)28-5-7-29(8-6-28)16(2)22(31)26-23(32)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h15-20H,3-14H2,1-2H3,(H,25,30)(H2,26,27,31,32)/t15-,16+,17?,18?,19?,24?/m0/s1
InChIKeyPSJFWERFRDMJIM-FRBILKQBSA-N
MW445.61 g/mol
LogP1.45
Rot. Bonds6

About (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide

(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 51928773) has the molecular formula C24H39N5O3 and a molecular weight of 445.61 g/mol. Its IUPAC name is (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID51928773
Molecular FormulaC24H39N5O3
Molecular Weight445.61 g/mol
Exact Mass445.31
IUPAC Name(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1
InChIInChI=1S/C24H39N5O3/c1-15(21(30)25-20-3-4-20)28-5-7-29(8-6-28)16(2)22(31)26-23(32)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h15-20H,3-14H2,1-2H3,(H,25,30)(H2,26,27,31,32)/t15-,16+,17?,18?,19?,24?/m0/s1
InChIKeyPSJFWERFRDMJIM-FRBILKQBSA-N
XLogP1.45
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide with MolForge

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Related Compounds

1-[1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908117
(2S)-N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 29114565
N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 55852279
N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide
CID 55682682
(2R)-N-(1-adamantylcarbamoyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 26424151
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
(2S)-N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9345941
N-(1-adamantylcarbamoyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55364697
N-(1-adamantylcarbamoyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]propanamide
CID 55842605
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919985
N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550076
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 51928773) is (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide is C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1.
What is the InChIKey of (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is PSJFWERFRDMJIM-FRBILKQBSA-N. The full InChI is InChI=1S/C24H39N5O3/c1-15(21(30)25-20-3-4-20)28-5-7-29(8-6-28)16(2)22(31)26-23(32)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h15-20H,3-14H2,1-2H3,(H,25,30)(H2,26,27,31,32)/t15-,16+,17?,18?,19?,24?/m0/s1.
What are the key properties of (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 445.61 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 51928773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).