6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C19H27ClN4O2 — CID 167201518

IUPAC6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCNC(=O)N1CCC2(C1)C(=O)N(C(C)C)CCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN4O2/c1-14(2)24-11-10-23(12-15-4-6-16(20)7-5-15)19(17(24)25)8-9-22(13-19)18(26)21-3/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeyMNZYQVNSVHWYMI-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.18
Rot. Bonds3

About 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 167201518) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID167201518
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCNC(=O)N1CCC2(C1)C(=O)N(C(C)C)CCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN4O2/c1-14(2)24-11-10-23(12-15-4-6-16(20)7-5-15)19(17(24)25)8-9-22(13-19)18(26)21-3/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeyMNZYQVNSVHWYMI-UHFFFAOYSA-N
XLogP2.18
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16046127
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CID 2083685
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CID 2102967
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CID 2412458
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CID 580799
CID 580799

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 167201518) is 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CNC(=O)N1CCC2(C1)C(=O)N(C(C)C)CCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is MNZYQVNSVHWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-14(2)24-11-10-23(12-15-4-6-16(20)7-5-15)19(17(24)25)8-9-22(13-19)18(26)21-3/h4-7,14H,8-13H2,1-3H3,(H,21,26).
What are the key properties of 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 167201518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).