N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide

C11H22FN3O — CID 115903706

IUPACN-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCCCF)CC1
InChIInChI=1S/C11H22FN3O/c1-2-13-11(16)15-8-4-10(5-9-15)14-7-3-6-12/h10,14H,2-9H2,1H3,(H,13,16)
InChIKeySZPWKXUORLYFOC-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.13
Rot. Bonds5

About N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide

N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide (PubChem CID 115903706) has the molecular formula C11H22FN3O and a molecular weight of 231.31 g/mol. Its IUPAC name is N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
PubChem CID115903706
Molecular FormulaC11H22FN3O
Molecular Weight231.31 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCCCF)CC1
InChIInChI=1S/C11H22FN3O/c1-2-13-11(16)15-8-4-10(5-9-15)14-7-3-6-12/h10,14H,2-9H2,1H3,(H,13,16)
InChIKeySZPWKXUORLYFOC-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
4-amino-N-cyclohexylpiperidine-1-carboxamide
CID 6489233
3-Cyclohexyl-1-(piperidin-4-yl)urea
CID 1445163
3-Cyclohexyl-1,1-diethylurea
CID 4338720
3-Cyclohexyl-1,1-dipropylurea
CID 5093082
N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
CID 6466102
3-Cyclohexyl-1,1-dibutylurea
CID 3398150
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
3-Methyl-1-(piperidin-4-yl)urea hydrochloride
CID 53255670
4-Amino-N-methyl-1-piperidinecarboxamide
CID 53256183
1,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea
CID 54043995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide (CID 115903706) is N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide is CCNC(=O)N1CCC(NCCCF)CC1.
What is the InChIKey of N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide?
The InChIKey is SZPWKXUORLYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3O/c1-2-13-11(16)15-8-4-10(5-9-15)14-7-3-6-12/h10,14H,2-9H2,1H3,(H,13,16).
What are the key properties of N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide?
N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide has a molecular weight of 231.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide is sourced from PubChem (CID 115903706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).