3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea

C19H31N5O — CID 128786544

IUPAC3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
SMILESCN(C(=O)NCc1ccc(N2CCCCCC2)nc1)C1CCNCC1
InChIInChI=1S/C19H31N5O/c1-23(17-8-10-20-11-9-17)19(25)22-15-16-6-7-18(21-14-16)24-12-4-2-3-5-13-24/h6-7,14,17,20H,2-5,8-13,15H2,1H3,(H,22,25)
InChIKeyGWHXTABGEJUXIF-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.36
Rot. Bonds4

About 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea

3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea (PubChem CID 128786544) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea.

Molecular Properties

Compound Name3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
PubChem CID128786544
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
SMILESCN(C(=O)NCc1ccc(N2CCCCCC2)nc1)C1CCNCC1
InChIInChI=1S/C19H31N5O/c1-23(17-8-10-20-11-9-17)19(25)22-15-16-6-7-18(21-14-16)24-12-4-2-3-5-13-24/h6-7,14,17,20H,2-5,8-13,15H2,1H3,(H,22,25)
InChIKeyGWHXTABGEJUXIF-UHFFFAOYSA-N
XLogP2.36
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea with MolForge

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Related Compounds

1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 112835433
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 119399541
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-[(4-ethoxyphenyl)methyl]-1-methylurea
CID 55794420
N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea?
The IUPAC name of 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea (CID 128786544) is 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea.
What is the SMILES notation for 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea?
The canonical SMILES for 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea is CN(C(=O)NCc1ccc(N2CCCCCC2)nc1)C1CCNCC1.
What is the InChIKey of 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea?
The InChIKey is GWHXTABGEJUXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-23(17-8-10-20-11-9-17)19(25)22-15-16-6-7-18(21-14-16)24-12-4-2-3-5-13-24/h6-7,14,17,20H,2-5,8-13,15H2,1H3,(H,22,25).
What are the key properties of 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea?
3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea has a molecular weight of 345.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea is sourced from PubChem (CID 128786544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).