3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea

C24H36N4O2 — CID 59433567

IUPAC3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
SMILESCC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H36N4O2/c1-18(29)27-14-9-19(10-15-27)28-16-12-24(13-17-28)11-8-22(25-23(30)26(2)3)20-6-4-5-7-21(20)24/h4-7,19,22H,8-17H2,1-3H3,(H,25,30)/t22-/m1/s1
InChIKeyMMCRALJJXYNFSY-JOCHJYFZSA-N
MW412.58 g/mol
LogP3.14
Rot. Bonds2

About 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea

3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea (PubChem CID 59433567) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
PubChem CID59433567
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
SMILESCC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H36N4O2/c1-18(29)27-14-9-19(10-15-27)28-16-12-24(13-17-28)11-8-22(25-23(30)26(2)3)20-6-4-5-7-21(20)24/h4-7,19,22H,8-17H2,1-3H3,(H,25,30)/t22-/m1/s1
InChIKeyMMCRALJJXYNFSY-JOCHJYFZSA-N
XLogP3.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea (CID 59433567) is 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea is CC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The InChIKey is MMCRALJJXYNFSY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-18(29)27-14-9-19(10-15-27)28-16-12-24(13-17-28)11-8-22(25-23(30)26(2)3)20-6-4-5-7-21(20)24/h4-7,19,22H,8-17H2,1-3H3,(H,25,30)/t22-/m1/s1.
What are the key properties of 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea has a molecular weight of 412.58 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1'-(1-acetylpiperidin-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea is sourced from PubChem (CID 59433567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).