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

C15H22N4O2 — CID 90521465

IUPAC1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C15H22N4O2/c1-2-17-15(21)18-10-12-5-8-19(9-6-12)14(20)13-4-3-7-16-11-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3,(H2,17,18,21)
InChIKeyUVMRLPFUMHGIDV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.25
Rot. Bonds4

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

1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea (PubChem CID 90521465) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
PubChem CID90521465
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C15H22N4O2/c1-2-17-15(21)18-10-12-5-8-19(9-6-12)14(20)13-4-3-7-16-11-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3,(H2,17,18,21)
InChIKeyUVMRLPFUMHGIDV-UHFFFAOYSA-N
XLogP1.25
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90521505
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108924865
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea (CID 90521465) is 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea is CCNC(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea?
The InChIKey is UVMRLPFUMHGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-17-15(21)18-10-12-5-8-19(9-6-12)14(20)13-4-3-7-16-11-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3,(H2,17,18,21).
What are the key properties of 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea?
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea has a molecular weight of 290.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 90521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).