1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea

C25H29N3O3 — CID 42702156

IUPAC1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea
SMILESCC1CCN(C(=O)CCN(Cc2ccco2)C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C25H29N3O3/c1-19-11-14-27(15-12-19)24(29)13-16-28(18-21-8-5-17-31-21)25(30)26-23-10-4-7-20-6-2-3-9-22(20)23/h2-10,17,19H,11-16,18H2,1H3,(H,26,30)
InChIKeyNMFYRPNCKFMZNK-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.12
Rot. Bonds6

About 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea

1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea (PubChem CID 42702156) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea
PubChem CID42702156
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea
SMILESCC1CCN(C(=O)CCN(Cc2ccco2)C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C25H29N3O3/c1-19-11-14-27(15-12-19)24(29)13-16-28(18-21-8-5-17-31-21)25(30)26-23-10-4-7-20-6-2-3-9-22(20)23/h2-10,17,19H,11-16,18H2,1H3,(H,26,30)
InChIKeyNMFYRPNCKFMZNK-UHFFFAOYSA-N
XLogP5.12
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 42702157
N-(furan-2-ylmethyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160970
1-(furan-2-ylmethyl)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-naphthalen-1-ylurea
CID 42698041
1-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-3-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea
CID 42699883
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylcarbamoyl(propyl)amino]acetamide
CID 3601767
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 17379875
3-(3-methylphenyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699913
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-bromo-N-(furan-2-ylmethyl)benzamide
CID 42703531

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea (CID 42702156) is 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea is CC1CCN(C(=O)CCN(Cc2ccco2)C(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea?
The InChIKey is NMFYRPNCKFMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-11-14-27(15-12-19)24(29)13-16-28(18-21-8-5-17-31-21)25(30)26-23-10-4-7-20-6-2-3-9-22(20)23/h2-10,17,19H,11-16,18H2,1H3,(H,26,30).
What are the key properties of 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea?
1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea has a molecular weight of 419.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 42702156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).