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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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 16187563
(2S)-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269386
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
3-(1-Cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 51084123
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868350
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71985669
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990256
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116467
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116529
1-((1,2-Oxazol-3-yl)methyl)piperazine dihydrochloride
CID 165981583
2-(1-isobutyl-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl)-N-(3-isoxazolylmethyl)-N-methylacetamide hydrochloride
CID 72910920
N~1~-(tert-butyl)-N~3~-(isoxazol-3-ylmethyl)-N~3~-methyl-beta-alaninamide
CID 91831466

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).