1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

C18H31N5O — CID 146122561

IUPAC1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCN(C)c1cccc(CNC(=O)NC2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C18H31N5O/c1-18(2,3)23-11-9-14(10-12-23)21-17(24)19-13-15-7-6-8-16(20-15)22(4)5/h6-8,14H,9-13H2,1-5H3,(H2,19,21,24)
InChIKeyMMNWKXDYLDSQPZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.21
Rot. Bonds4

About 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (PubChem CID 146122561) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
PubChem CID146122561
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCN(C)c1cccc(CNC(=O)NC2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C18H31N5O/c1-18(2,3)23-11-9-14(10-12-23)21-17(24)19-13-15-7-6-8-16(20-15)22(4)5/h6-8,14H,9-13H2,1-5H3,(H2,19,21,24)
InChIKeyMMNWKXDYLDSQPZ-UHFFFAOYSA-N
XLogP2.21
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (CID 146122561) is 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is CN(C)c1cccc(CNC(=O)NC2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The InChIKey is MMNWKXDYLDSQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-18(2,3)23-11-9-14(10-12-23)21-17(24)19-13-15-7-6-8-16(20-15)22(4)5/h6-8,14H,9-13H2,1-5H3,(H2,19,21,24).
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 146122561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).