1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea

C19H27N5O2 — CID 126442624

IUPAC1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
SMILESCc1nnc(CN(C)C(=O)NCCN2CCC[C@H](c3ccccc3)C2)o1
InChIInChI=1S/C19H27N5O2/c1-15-21-22-18(26-15)14-23(2)19(25)20-10-12-24-11-6-9-17(13-24)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,20,25)/t17-/m0/s1
InChIKeyLNFNOMYICGXTGZ-KRWDZBQOSA-N
MW357.46 g/mol
LogP2.40
Rot. Bonds6

About 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea

1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea (PubChem CID 126442624) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
PubChem CID126442624
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
SMILESCc1nnc(CN(C)C(=O)NCCN2CCC[C@H](c3ccccc3)C2)o1
InChIInChI=1S/C19H27N5O2/c1-15-21-22-18(26-15)14-23(2)19(25)20-10-12-24-11-6-9-17(13-24)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,20,25)/t17-/m0/s1
InChIKeyLNFNOMYICGXTGZ-KRWDZBQOSA-N
XLogP2.40
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea (CID 126442624) is 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea is Cc1nnc(CN(C)C(=O)NCCN2CCC[C@H](c3ccccc3)C2)o1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea?
The InChIKey is LNFNOMYICGXTGZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-15-21-22-18(26-15)14-23(2)19(25)20-10-12-24-11-6-9-17(13-24)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,20,25)/t17-/m0/s1.
What are the key properties of 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea?
1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea has a molecular weight of 357.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea is sourced from PubChem (CID 126442624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).