phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C20H29N3O3 — CID 3233633

IUPACphenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C20H29N3O3/c1-16(2)21-18(24)22-12-8-20(9-13-22)10-14-23(15-11-20)19(25)26-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,21,24)
InChIKeyFJWYHHVGHXJCSM-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.48
Rot. Bonds2

About phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3233633) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namephenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3233633
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namephenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C20H29N3O3/c1-16(2)21-18(24)22-12-8-20(9-13-22)10-14-23(15-11-20)19(25)26-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,21,24)
InChIKeyFJWYHHVGHXJCSM-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 146666947
Phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3232807
phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233820
Phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235409
phenyl N-(piperidin-4-yl)carbamate hydrochloride
CID 50988760
Phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3232648
Phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233826
Phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3234937
Phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234990
4-(2-Phenoxyethyl)-N-propylpiperidine-1-carboxamide
CID 53151104
Phenyl 4-(aminomethyl)piperidine-1-carboxylate
CID 55210350
1-(2-Phenoxyethyl)-3-{[1-(propan-2-yl)piperidin-4-yl]methyl}urea
CID 71796512

Frequently Asked Questions

What is the IUPAC name of phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3233633) is phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2.
What is the InChIKey of phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is FJWYHHVGHXJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(2)21-18(24)22-12-8-20(9-13-22)10-14-23(15-11-20)19(25)26-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,21,24).
What are the key properties of phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3233633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).