N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide

C28H41N3O3 — CID 5189813

IUPACN-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
SMILESCOCCCNC(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCC(C)CC1
InChIInChI=1S/C28H41N3O3/c1-19-6-9-31(10-7-19)25-5-4-23(15-24(25)26(32)29-8-3-11-34-2)30-27(33)28-16-20-12-21(17-28)14-22(13-20)18-28/h4-5,15,19-22H,3,6-14,16-18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyIVTYDCSJUILDRD-UHFFFAOYSA-N
MW467.65 g/mol
LogP4.84
Rot. Bonds8

About N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide

N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide (PubChem CID 5189813) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
PubChem CID5189813
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC NameN-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
SMILESCOCCCNC(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCC(C)CC1
InChIInChI=1S/C28H41N3O3/c1-19-6-9-31(10-7-19)25-5-4-23(15-24(25)26(32)29-8-3-11-34-2)30-27(33)28-16-20-12-21(17-28)14-22(13-20)18-28/h4-5,15,19-22H,3,6-14,16-18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyIVTYDCSJUILDRD-UHFFFAOYSA-N
XLogP4.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 3262158
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 4304484
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3890028
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4308801

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide (CID 5189813) is N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide is COCCCNC(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCC(C)CC1.
What is the InChIKey of N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide?
The InChIKey is IVTYDCSJUILDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3/c1-19-6-9-31(10-7-19)25-5-4-23(15-24(25)26(32)29-8-3-11-34-2)30-27(33)28-16-20-12-21(17-28)14-22(13-20)18-28/h4-5,15,19-22H,3,6-14,16-18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide?
N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide has a molecular weight of 467.65 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 5189813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).