(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide

C19H23F2N3O2 — CID 42401902

IUPAC(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESC=CCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C19H23F2N3O2/c1-2-8-22-18(26)24-10-7-19(13-24)6-3-9-23(17(19)25)12-14-4-5-15(20)16(21)11-14/h2,4-5,11H,1,3,6-10,12-13H2,(H,22,26)/t19-/m0/s1
InChIKeyNDMMCQRXNXIBHA-IBGZPJMESA-N
MW363.41 g/mol
LogP2.67
Rot. Bonds4

About (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 42401902) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID42401902
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESC=CCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C19H23F2N3O2/c1-2-8-22-18(26)24-10-7-19(13-24)6-3-9-23(17(19)25)12-14-4-5-15(20)16(21)11-14/h2,4-5,11H,1,3,6-10,12-13H2,(H,22,26)/t19-/m0/s1
InChIKeyNDMMCQRXNXIBHA-IBGZPJMESA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-N-butyl-7-[(3,4-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26315460
(5S)-7-[(3-methoxyphenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26320528
(5R)-2-(cyclobutanecarbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25283016
(5R)-7-[(3,4-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459558
7-[(3,4-difluorophenyl)methyl]-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45200848
(5R)-7-[(3,4-difluorophenyl)methyl]-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25284014
2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45214580
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[(1,3-dihydroxypropan-2-ylamino)methyl]-3-hydroxypiperidin-2-one
CID 95227354
(5S)-7-[(3,4-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42214003
7-[(3,4-difluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 45232194
N-[2-[[(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]acetamide
CID 95190755
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-6-oxo-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26412671

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 42401902) is (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide is C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1.
What is the InChIKey of (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NDMMCQRXNXIBHA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-2-8-22-18(26)24-10-7-19(13-24)6-3-9-23(17(19)25)12-14-4-5-15(20)16(21)11-14/h2,4-5,11H,1,3,6-10,12-13H2,(H,22,26)/t19-/m0/s1.
What are the key properties of (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 42401902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).