1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea

C17H27N5O — CID 164635330

IUPAC1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea
SMILESCN(C)c1cc(NC(=O)NC[C@H]2CCCCN2C2CC2)ccn1
InChIInChI=1S/C17H27N5O/c1-21(2)16-11-13(8-9-18-16)20-17(23)19-12-15-5-3-4-10-22(15)14-6-7-14/h8-9,11,14-15H,3-7,10,12H2,1-2H3,(H2,18,19,20,23)/t15-/m1/s1
InChIKeyPGSLVGWTVCXCFR-OAHLLOKOSA-N
MW317.44 g/mol
LogP2.29
Rot. Bonds5

About 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea

1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea (PubChem CID 164635330) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea
PubChem CID164635330
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea
SMILESCN(C)c1cc(NC(=O)NC[C@H]2CCCCN2C2CC2)ccn1
InChIInChI=1S/C17H27N5O/c1-21(2)16-11-13(8-9-18-16)20-17(23)19-12-15-5-3-4-10-22(15)14-6-7-14/h8-9,11,14-15H,3-7,10,12H2,1-2H3,(H2,18,19,20,23)/t15-/m1/s1
InChIKeyPGSLVGWTVCXCFR-OAHLLOKOSA-N
XLogP2.29
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea?
The IUPAC name of 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea (CID 164635330) is 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea.
What is the SMILES notation for 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea?
The canonical SMILES for 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea is CN(C)c1cc(NC(=O)NC[C@H]2CCCCN2C2CC2)ccn1.
What is the InChIKey of 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea?
The InChIKey is PGSLVGWTVCXCFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21(2)16-11-13(8-9-18-16)20-17(23)19-12-15-5-3-4-10-22(15)14-6-7-14/h8-9,11,14-15H,3-7,10,12H2,1-2H3,(H2,18,19,20,23)/t15-/m1/s1.
What are the key properties of 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea?
1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea has a molecular weight of 317.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea is sourced from PubChem (CID 164635330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).