N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide

C28H41N3O3 — CID 35047582

IUPACN-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1
InChIInChI=1S/C28H41N3O3/c1-34-24-7-5-23(6-8-24)25(31-11-3-2-4-12-31)19-30-26(32)9-10-29-27(33)28-16-20-13-21(17-28)15-22(14-20)18-28/h5-8,20-22,25H,2-4,9-19H2,1H3,(H,29,33)(H,30,32)/t20?,21?,22?,25-,28?/m0/s1
InChIKeyOOZIKOUZKYVUTE-BTUURDQESA-N
MW467.65 g/mol
LogP4.06
Rot. Bonds9

About N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 35047582) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID35047582
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC NameN-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1
InChIInChI=1S/C28H41N3O3/c1-34-24-7-5-23(6-8-24)25(31-11-3-2-4-12-31)19-30-26(32)9-10-29-27(33)28-16-20-13-21(17-28)15-22(14-20)18-28/h5-8,20-22,25H,2-4,9-19H2,1H3,(H,29,33)(H,30,32)/t20?,21?,22?,25-,28?/m0/s1
InChIKeyOOZIKOUZKYVUTE-BTUURDQESA-N
XLogP4.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide with MolForge

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]adamantane-1-carboxamide
CID 35126632
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 43842812
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 7496559
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide (CID 35047582) is N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide is COc1ccc([C@H](CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1.
What is the InChIKey of N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is OOZIKOUZKYVUTE-BTUURDQESA-N. The full InChI is InChI=1S/C28H41N3O3/c1-34-24-7-5-23(6-8-24)25(31-11-3-2-4-12-31)19-30-26(32)9-10-29-27(33)28-16-20-13-21(17-28)15-22(14-20)18-28/h5-8,20-22,25H,2-4,9-19H2,1H3,(H,29,33)(H,30,32)/t20?,21?,22?,25-,28?/m0/s1.
What are the key properties of N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 467.65 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 35047582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).