3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide

C19H34FN5O — CID 153453551

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide
SMILESCC1CNC(F)C(C2CC(CNC3=NCCN3)CC(C(=O)N(C)C)C2)C1
InChIInChI=1S/C19H34FN5O/c1-12-6-16(17(20)23-10-12)14-7-13(11-24-19-21-4-5-22-19)8-15(9-14)18(26)25(2)3/h12-17,23H,4-11H2,1-3H3,(H2,21,22,24)
InChIKeyBGVWYRDRSMLOSF-UHFFFAOYSA-N
MW367.51 g/mol
LogP1.20
Rot. Bonds4

About 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 153453551) has the molecular formula C19H34FN5O and a molecular weight of 367.51 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID153453551
Molecular FormulaC19H34FN5O
Molecular Weight367.51 g/mol
Exact Mass367.27
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide
SMILESCC1CNC(F)C(C2CC(CNC3=NCCN3)CC(C(=O)N(C)C)C2)C1
InChIInChI=1S/C19H34FN5O/c1-12-6-16(17(20)23-10-12)14-7-13(11-24-19-21-4-5-22-19)8-15(9-14)18(26)25(2)3/h12-17,23H,4-11H2,1-3H3,(H2,21,22,24)
InChIKeyBGVWYRDRSMLOSF-UHFFFAOYSA-N
XLogP1.20
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide (CID 153453551) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide is CC1CNC(F)C(C2CC(CNC3=NCCN3)CC(C(=O)N(C)C)C2)C1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is BGVWYRDRSMLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN5O/c1-12-6-16(17(20)23-10-12)14-7-13(11-24-19-21-4-5-22-19)8-15(9-14)18(26)25(2)3/h12-17,23H,4-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 367.51 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methylpiperidin-3-yl)-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 153453551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).