N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C16H27N5O2 — CID 71868342

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CCN(Cc2ccon2)CC1)N(C)C1CC1
InChIInChI=1S/C16H27N5O2/c1-13(19(2)15-3-4-15)11-17-16(22)21-8-6-20(7-9-21)12-14-5-10-23-18-14/h5,10,13,15H,3-4,6-9,11-12H2,1-2H3,(H,17,22)
InChIKeyDOIXCEVBDAXPPR-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.98
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71868342) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71868342
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CCN(Cc2ccon2)CC1)N(C)C1CC1
InChIInChI=1S/C16H27N5O2/c1-13(19(2)15-3-4-15)11-17-16(22)21-8-6-20(7-9-21)12-14-5-10-23-18-14/h5,10,13,15H,3-4,6-9,11-12H2,1-2H3,(H,17,22)
InChIKeyDOIXCEVBDAXPPR-UHFFFAOYSA-N
XLogP0.98
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71868342) is N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is CC(CNC(=O)N1CCN(Cc2ccon2)CC1)N(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is DOIXCEVBDAXPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(19(2)15-3-4-15)11-17-16(22)21-8-6-20(7-9-21)12-14-5-10-23-18-14/h5,10,13,15H,3-4,6-9,11-12H2,1-2H3,(H,17,22).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71868342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).