N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide

C24H32FN5O2 — CID 90920265

IUPACN-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
SMILESCc1cc(NC(=O)NCCN2CCC(CCNC(=O)c3ccc(F)cc3)CC2)cc(C)n1
InChIInChI=1S/C24H32FN5O2/c1-17-15-22(16-18(2)28-17)29-24(32)27-11-14-30-12-8-19(9-13-30)7-10-26-23(31)20-3-5-21(25)6-4-20/h3-6,15-16,19H,7-14H2,1-2H3,(H,26,31)(H2,27,28,29,32)
InChIKeyAGJNKDWTCOWVRS-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.49
Rot. Bonds8

About N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide

N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide (PubChem CID 90920265) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
PubChem CID90920265
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC NameN-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
SMILESCc1cc(NC(=O)NCCN2CCC(CCNC(=O)c3ccc(F)cc3)CC2)cc(C)n1
InChIInChI=1S/C24H32FN5O2/c1-17-15-22(16-18(2)28-17)29-24(32)27-11-14-30-12-8-19(9-13-30)7-10-26-23(31)20-3-5-21(25)6-4-20/h3-6,15-16,19H,7-14H2,1-2H3,(H,26,31)(H2,27,28,29,32)
InChIKeyAGJNKDWTCOWVRS-UHFFFAOYSA-N
XLogP3.49
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide with MolForge

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 118785980

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide (CID 90920265) is N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide is Cc1cc(NC(=O)NCCN2CCC(CCNC(=O)c3ccc(F)cc3)CC2)cc(C)n1.
What is the InChIKey of N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide?
The InChIKey is AGJNKDWTCOWVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-17-15-22(16-18(2)28-17)29-24(32)27-11-14-30-12-8-19(9-13-30)7-10-26-23(31)20-3-5-21(25)6-4-20/h3-6,15-16,19H,7-14H2,1-2H3,(H,26,31)(H2,27,28,29,32).
What are the key properties of N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide?
N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide has a molecular weight of 441.55 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 90920265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).