4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide

C21H31N3O3 — CID 70742226

IUPAC4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(NC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C21H31N3O3/c25-20(23-17-4-2-1-3-5-17)24-11-6-18(7-12-24)22-19-8-13-27-21(16-19)9-14-26-15-10-21/h1-5,18-19,22H,6-16H2,(H,23,25)
InChIKeyRXRLCLXEWROMBW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.00
Rot. Bonds3

About 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide

4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide (PubChem CID 70742226) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
PubChem CID70742226
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(NC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C21H31N3O3/c25-20(23-17-4-2-1-3-5-17)24-11-6-18(7-12-24)22-19-8-13-27-21(16-19)9-14-26-15-10-21/h1-5,18-19,22H,6-16H2,(H,23,25)
InChIKeyRXRLCLXEWROMBW-UHFFFAOYSA-N
XLogP3.00
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide (CID 70742226) is 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(NC2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide?
The InChIKey is RXRLCLXEWROMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(23-17-4-2-1-3-5-17)24-11-6-18(7-12-24)22-19-8-13-27-21(16-19)9-14-26-15-10-21/h1-5,18-19,22H,6-16H2,(H,23,25).
What are the key properties of 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide?
4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 70742226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).