1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

C19H28N4O2 — CID 121108676

IUPAC1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)NC1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(16-6-10-20-11-7-16)23-12-8-15(9-13-23)14-21-19(25)22-17-4-2-1-3-5-17/h6-7,10-11,15,17H,1-5,8-9,12-14H2,(H2,21,22,25)
InChIKeyGNFBMTXGLPPPQJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.57
Rot. Bonds4

About 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (PubChem CID 121108676) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
PubChem CID121108676
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)NC1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(16-6-10-20-11-7-16)23-12-8-15(9-13-23)14-21-19(25)22-17-4-2-1-3-5-17/h6-7,10-11,15,17H,1-5,8-9,12-14H2,(H2,21,22,25)
InChIKeyGNFBMTXGLPPPQJ-UHFFFAOYSA-N
XLogP2.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
1-(2-cyclobutylethyl)-3-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]urea
CID 97227388
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (CID 121108676) is 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is O=C(NCC1CCN(C(=O)c2ccncc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The InChIKey is GNFBMTXGLPPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(16-6-10-20-11-7-16)23-12-8-15(9-13-23)14-21-19(25)22-17-4-2-1-3-5-17/h6-7,10-11,15,17H,1-5,8-9,12-14H2,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea has a molecular weight of 344.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 121108676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).