2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide

C18H30N4O2 — CID 119884312

IUPAC2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCc1nc(CN2CCC(CNC(=O)CNCC3CC3)CC2)oc1C
InChIInChI=1S/C18H30N4O2/c1-13-14(2)24-18(21-13)12-22-7-5-16(6-8-22)10-20-17(23)11-19-9-15-3-4-15/h15-16,19H,3-12H2,1-2H3,(H,20,23)
InChIKeyNWLXYSHCKNBWJS-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.62
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 119884312) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID119884312
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCc1nc(CN2CCC(CNC(=O)CNCC3CC3)CC2)oc1C
InChIInChI=1S/C18H30N4O2/c1-13-14(2)24-18(21-13)12-22-7-5-16(6-8-22)10-20-17(23)11-19-9-15-3-4-15/h15-16,19H,3-12H2,1-2H3,(H,20,23)
InChIKeyNWLXYSHCKNBWJS-UHFFFAOYSA-N
XLogP1.62
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 119884312) is 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide is Cc1nc(CN2CCC(CNC(=O)CNCC3CC3)CC2)oc1C.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is NWLXYSHCKNBWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-14(2)24-18(21-13)12-22-7-5-16(6-8-22)10-20-17(23)11-19-9-15-3-4-15/h15-16,19H,3-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 119884312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).