1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea

C16H21N5O3 — CID 128975594

IUPAC1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
SMILESCn1ccnc(N2CCC(NC(=O)NCc3ccco3)CC2)c1=O
InChIInChI=1S/C16H21N5O3/c1-20-9-6-17-14(15(20)22)21-7-4-12(5-8-21)19-16(23)18-11-13-3-2-10-24-13/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,18,19,23)
InChIKeyKRIVQNSSRSHSGV-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.84
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea

1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea (PubChem CID 128975594) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
PubChem CID128975594
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
SMILESCn1ccnc(N2CCC(NC(=O)NCc3ccco3)CC2)c1=O
InChIInChI=1S/C16H21N5O3/c1-20-9-6-17-14(15(20)22)21-7-4-12(5-8-21)19-16(23)18-11-13-3-2-10-24-13/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,18,19,23)
InChIKeyKRIVQNSSRSHSGV-UHFFFAOYSA-N
XLogP0.84
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea
CID 129333627
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
1-(furan-2-ylmethyl)-3-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
CID 91910732
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide
CID 129344612
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 45198219
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea (CID 128975594) is 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea is Cn1ccnc(N2CCC(NC(=O)NCc3ccco3)CC2)c1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea?
The InChIKey is KRIVQNSSRSHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-20-9-6-17-14(15(20)22)21-7-4-12(5-8-21)19-16(23)18-11-13-3-2-10-24-13/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,18,19,23).
What are the key properties of 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea?
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea has a molecular weight of 331.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 128975594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).