1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea

C21H36N4O2 — CID 119520066

IUPAC1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
SMILESCC(N)C1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H36N4O2/c1-14(22)18-3-6-25(7-4-18)19(26)2-5-23-20(27)24-21-11-15-8-16(12-21)10-17(9-15)13-21/h14-18H,2-13,22H2,1H3,(H2,23,24,27)
InChIKeyJGNFRVYYCGHARW-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.23
Rot. Bonds5

About 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea

1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea (PubChem CID 119520066) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
PubChem CID119520066
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
SMILESCC(N)C1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H36N4O2/c1-14(22)18-3-6-25(7-4-18)19(26)2-5-23-20(27)24-21-11-15-8-16(12-21)10-17(9-15)13-21/h14-18H,2-13,22H2,1H3,(H2,23,24,27)
InChIKeyJGNFRVYYCGHARW-UHFFFAOYSA-N
XLogP2.23
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea 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-[3-(1-adamantylcarbamoylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166668
3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564892
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(1-adamantyl)urea
CID 66794706
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350
1-(1-adamantyl)-3-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]urea
CID 120805111
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate
CID 55524799
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate
CID 55422522
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
1-(1-adamantyl)-3-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]urea
CID 55964394

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea (CID 119520066) is 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea is CC(N)C1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea?
The InChIKey is JGNFRVYYCGHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-14(22)18-3-6-25(7-4-18)19(26)2-5-23-20(27)24-21-11-15-8-16(12-21)10-17(9-15)13-21/h14-18H,2-13,22H2,1H3,(H2,23,24,27).
What are the key properties of 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea?
1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea has a molecular weight of 376.55 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 119520066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).