N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide

C10H19FN2O — CID 84593305

IUPACN-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCF)CC1
InChIInChI=1S/C10H19FN2O/c1-9-3-7-13(8-4-9)10(14)12-6-2-5-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeyGTJNIFHGSJHBAP-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.79
Rot. Bonds3

About N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide

N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide (PubChem CID 84593305) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide
PubChem CID84593305
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC NameN-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCF)CC1
InChIInChI=1S/C10H19FN2O/c1-9-3-7-13(8-4-9)10(14)12-6-2-5-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeyGTJNIFHGSJHBAP-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
1-[(Piperidin-4-yl)methyl]imidazolidin-2-one
CID 61649405
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
1-(2-Methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 71868349
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
n-Butylpiperidine-1-carboxamide
CID 256864
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 11616479
(Piperidin-4-ylmethyl)urea
CID 19081831
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide (CID 84593305) is N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCCF)CC1.
What is the InChIKey of N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is GTJNIFHGSJHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-9-3-7-13(8-4-9)10(14)12-6-2-5-11/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide?
N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 84593305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).