N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C19H27F2N3O2 — CID 119666493

IUPACN-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H27F2N3O2/c1-2-3-4-15(12-22)23-18(25)13-7-9-24(10-8-13)19(26)16-6-5-14(20)11-17(16)21/h5-6,11,13,15H,2-4,7-10,12,22H2,1H3,(H,23,25)
InChIKeyMNJMEKYFSAFFRU-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.45
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 119666493) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID119666493
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H27F2N3O2/c1-2-3-4-15(12-22)23-18(25)13-7-9-24(10-8-13)19(26)16-6-5-14(20)11-17(16)21/h5-6,11,13,15H,2-4,7-10,12,22H2,1H3,(H,23,25)
InChIKeyMNJMEKYFSAFFRU-UHFFFAOYSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119665465
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
CID 55747317
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
(E)-2-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693182
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 119666493) is N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is CCCCC(CN)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is MNJMEKYFSAFFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-2-3-4-15(12-22)23-18(25)13-7-9-24(10-8-13)19(26)16-6-5-14(20)11-17(16)21/h5-6,11,13,15H,2-4,7-10,12,22H2,1H3,(H,23,25).
What are the key properties of N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 119666493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).