N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

C16H21F2N3O2 — CID 71840473

IUPACN-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C16H21F2N3O2/c1-2-15(22)19-9-11-4-3-7-21(10-11)16(23)20-14-6-5-12(17)8-13(14)18/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyPWOSRVAABFTCBP-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.73
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840473) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840473
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C16H21F2N3O2/c1-2-15(22)19-9-11-4-3-7-21(10-11)16(23)20-14-6-5-12(17)8-13(14)18/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyPWOSRVAABFTCBP-UHFFFAOYSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840485
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (CID 71840473) is N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is CCC(=O)NCC1CCCN(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is PWOSRVAABFTCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-2-15(22)19-9-11-4-3-7-21(10-11)16(23)20-14-6-5-12(17)8-13(14)18/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).