1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea

C20H29N3O2 — CID 139013550

IUPAC1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea
SMILESCN(C)C(=O)NC1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C20H29N3O2/c1-22(2)20(25)21-18-8-5-11-23(14-18)19(24)13-15-9-10-16-6-3-4-7-17(16)12-15/h9-10,12,18H,3-8,11,13-14H2,1-2H3,(H,21,25)
InChIKeyQHAADAXHAIONEF-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.37
Rot. Bonds3

About 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea

1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea (PubChem CID 139013550) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea
PubChem CID139013550
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea
SMILESCN(C)C(=O)NC1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C20H29N3O2/c1-22(2)20(25)21-18-8-5-11-23(14-18)19(24)13-15-9-10-16-6-3-4-7-17(16)12-15/h9-10,12,18H,3-8,11,13-14H2,1-2H3,(H,21,25)
InChIKeyQHAADAXHAIONEF-UHFFFAOYSA-N
XLogP2.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride
CID 119493437
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 175652303
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]acetamide
CID 17421092

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea (CID 139013550) is 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea is CN(C)C(=O)NC1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea?
The InChIKey is QHAADAXHAIONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(2)20(25)21-18-8-5-11-23(14-18)19(24)13-15-9-10-16-6-3-4-7-17(16)12-15/h9-10,12,18H,3-8,11,13-14H2,1-2H3,(H,21,25).
What are the key properties of 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea?
1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea has a molecular weight of 343.47 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea is sourced from PubChem (CID 139013550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).