4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide

C14H19F2N3O — CID 63595164

IUPAC4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESCC(N)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-9(17)10-4-6-19(7-5-10)14(20)18-13-3-2-11(15)8-12(13)16/h2-3,8-10H,4-7,17H2,1H3,(H,18,20)
InChIKeyAFAWKPXSRDVNPE-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.56
Rot. Bonds2

About 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide

4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 63595164) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID63595164
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESCC(N)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-9(17)10-4-6-19(7-5-10)14(20)18-13-3-2-11(15)8-12(13)16/h2-3,8-10H,4-7,17H2,1H3,(H,18,20)
InChIKeyAFAWKPXSRDVNPE-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide (CID 63595164) is 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide is CC(N)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is AFAWKPXSRDVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9(17)10-4-6-19(7-5-10)14(20)18-13-3-2-11(15)8-12(13)16/h2-3,8-10H,4-7,17H2,1H3,(H,18,20).
What are the key properties of 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 63595164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).