N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide

C28H40N4O3 — CID 156780893

IUPACN-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2ccc(NC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)cc2)CC1
InChIInChI=1S/C28H40N4O3/c1-4-23(33)29-22-9-11-32(12-10-22)24(34)20-5-7-21(8-6-20)30-25(35)31-28-15-19-13-26(2,17-28)16-27(3,14-19)18-28/h5-8,19,22H,4,9-18H2,1-3H3,(H,29,33)(H2,30,31,35)
InChIKeyXDKXRKGVMNOPNO-UHFFFAOYSA-N
MW480.65 g/mol
LogP4.69
Rot. Bonds5

About N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide

N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide (PubChem CID 156780893) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide
PubChem CID156780893
Molecular FormulaC28H40N4O3
Molecular Weight480.65 g/mol
Exact Mass480.31
IUPAC NameN-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2ccc(NC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)cc2)CC1
InChIInChI=1S/C28H40N4O3/c1-4-23(33)29-22-9-11-32(12-10-22)24(34)20-5-7-21(8-6-20)30-25(35)31-28-15-19-13-26(2,17-28)16-27(3,14-19)18-28/h5-8,19,22H,4,9-18H2,1-3H3,(H,29,33)(H2,30,31,35)
InChIKeyXDKXRKGVMNOPNO-UHFFFAOYSA-N
XLogP4.69
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide 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

1-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3-[(3R,5S)-3,5-dimethyl-1-adamantyl]urea
CID 175461156
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
1-(3,5-dimethyl-1-adamantyl)-3-[3-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-4-methylphenyl]urea
CID 3352396
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822989
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876820
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55829505
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
(3S)-1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-3-fluorobenzoyl]-N-[3-(hydroxyamino)-3-oxopropyl]piperidine-3-carboxamide
CID 177382199
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide (CID 156780893) is N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2ccc(NC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)cc2)CC1.
What is the InChIKey of N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide?
The InChIKey is XDKXRKGVMNOPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O3/c1-4-23(33)29-22-9-11-32(12-10-22)24(34)20-5-7-21(8-6-20)30-25(35)31-28-15-19-13-26(2,17-28)16-27(3,14-19)18-28/h5-8,19,22H,4,9-18H2,1-3H3,(H,29,33)(H2,30,31,35).
What are the key properties of N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide?
N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide has a molecular weight of 480.65 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 156780893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).