1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea

C16H34N4O — CID 148871995

IUPAC1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea
SMILESCCN1CCC(CNC(=O)NCC(C)C)(CN(C)C)CC1
InChIInChI=1S/C16H34N4O/c1-6-20-9-7-16(8-10-20,13-19(4)5)12-18-15(21)17-11-14(2)3/h14H,6-13H2,1-5H3,(H2,17,18,21)
InChIKeyPBIZHXJDZXJFNC-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.61
Rot. Bonds7

About 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea

1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea (PubChem CID 148871995) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea
PubChem CID148871995
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea
SMILESCCN1CCC(CNC(=O)NCC(C)C)(CN(C)C)CC1
InChIInChI=1S/C16H34N4O/c1-6-20-9-7-16(8-10-20,13-19(4)5)12-18-15(21)17-11-14(2)3/h14H,6-13H2,1-5H3,(H2,17,18,21)
InChIKeyPBIZHXJDZXJFNC-UHFFFAOYSA-N
XLogP1.61
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide
CID 175804988
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
CID 43754265
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
methyl 1-ethyl-4-(2-methylpropylamino)azepane-4-carboxylate
CID 65075907
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 114108830
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971181
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95133792

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea (CID 148871995) is 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea is CCN1CCC(CNC(=O)NCC(C)C)(CN(C)C)CC1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea?
The InChIKey is PBIZHXJDZXJFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-20-9-7-16(8-10-20,13-19(4)5)12-18-15(21)17-11-14(2)3/h14H,6-13H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea?
1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea has a molecular weight of 298.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 148871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).