3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

C19H33N3O — CID 108870291

IUPAC3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)18(23)20-13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23)
InChIKeyRRDLCVXXBAIHCJ-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.94
Rot. Bonds3

About 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 108870291) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID108870291
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)18(23)20-13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23)
InChIKeyRRDLCVXXBAIHCJ-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 22489803
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 3948880
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 46999032
ethyl 4-(1-adamantylmethylcarbamoyl)piperazine-1-carboxylate
CID 22110836
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
1-methyl-3-[(4-methylphenoxy)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 108892852

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 108870291) is 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is RRDLCVXXBAIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)18(23)20-13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23).
What are the key properties of 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 319.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 108870291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).