N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C17H25N5O3 — CID 124608580

IUPACN-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCOC[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)c1ccc(C)o1
InChIInChI=1S/C17H25N5O3/c1-13-4-5-16(25-13)15(12-24-3)19-17(23)22-8-6-21(7-9-22)14-10-18-20(2)11-14/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyNOZRTIMXPHCPQA-OAHLLOKOSA-N
MW347.42 g/mol
LogP1.54
Rot. Bonds5

About N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 124608580) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID124608580
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCOC[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)c1ccc(C)o1
InChIInChI=1S/C17H25N5O3/c1-13-4-5-16(25-13)15(12-24-3)19-17(23)22-8-6-21(7-9-22)14-10-18-20(2)11-14/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyNOZRTIMXPHCPQA-OAHLLOKOSA-N
XLogP1.54
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylmorpholine-4-carboxamide
CID 99831196
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608574
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
1-[4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84588857
N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 96563116
4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
CID 125438765
(9aS)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885044
1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 97071249
1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 97071251
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 124608580) is N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is COC[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)c1ccc(C)o1.
What is the InChIKey of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is NOZRTIMXPHCPQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13-4-5-16(25-13)15(12-24-3)19-17(23)22-8-6-21(7-9-22)14-10-18-20(2)11-14/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 124608580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).