N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide

C28H40N4O3 — CID 55852279

IUPACN-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H40N4O3/c1-19(26(34)30-27(35)31-28-16-21-13-22(17-28)15-23(14-21)18-28)32-11-9-24(10-12-32)29-25(33)8-7-20-5-3-2-4-6-20/h2-6,19,21-24H,7-18H2,1H3,(H,29,33)(H2,30,31,34,35)
InChIKeyPZDJYDODEABUCL-UHFFFAOYSA-N
MW480.65 g/mol
LogP3.38
Rot. Bonds7

About N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide

N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide (PubChem CID 55852279) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
PubChem CID55852279
Molecular FormulaC28H40N4O3
Molecular Weight480.65 g/mol
Exact Mass480.31
IUPAC NameN-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H40N4O3/c1-19(26(34)30-27(35)31-28-16-21-13-22(17-28)15-23(14-21)18-28)32-11-9-24(10-12-32)29-25(33)8-7-20-5-3-2-4-6-20/h2-6,19,21-24H,7-18H2,1H3,(H,29,33)(H2,30,31,34,35)
InChIKeyPZDJYDODEABUCL-UHFFFAOYSA-N
XLogP3.38
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51928773
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373
1-[1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908117
(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
(2S)-N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 29114565
N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550076
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide
CID 55852028
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
(2R)-N-(1-adamantylcarbamoyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 26424151

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide (CID 55852279) is N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide is CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
The InChIKey is PZDJYDODEABUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O3/c1-19(26(34)30-27(35)31-28-16-21-13-22(17-28)15-23(14-21)18-28)32-11-9-24(10-12-32)29-25(33)8-7-20-5-3-2-4-6-20/h2-6,19,21-24H,7-18H2,1H3,(H,29,33)(H2,30,31,34,35).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide has a molecular weight of 480.65 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 55852279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).