ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate

C26H39FN4O3 — CID 134108422

IUPACethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)N2CCC(CN(Cc3ccccc3F)CC3CC3)CC2)CC1
InChIInChI=1S/C26H39FN4O3/c1-2-34-26(33)31-15-11-23(12-16-31)28-25(32)30-13-9-21(10-14-30)18-29(17-20-7-8-20)19-22-5-3-4-6-24(22)27/h3-6,20-21,23H,2,7-19H2,1H3,(H,28,32)
InChIKeyIPKVZEFLXPNIGY-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.08
Rot. Bonds8

About ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 134108422) has the molecular formula C26H39FN4O3 and a molecular weight of 474.62 g/mol. Its IUPAC name is ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate
PubChem CID134108422
Molecular FormulaC26H39FN4O3
Molecular Weight474.62 g/mol
Exact Mass474.30
IUPAC Nameethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)N2CCC(CN(Cc3ccccc3F)CC3CC3)CC2)CC1
InChIInChI=1S/C26H39FN4O3/c1-2-34-26(33)31-15-11-23(12-16-31)28-25(32)30-13-9-21(10-14-30)18-29(17-20-7-8-20)19-22-5-3-4-6-24(22)27/h3-6,20-21,23H,2,7-19H2,1H3,(H,28,32)
InChIKeyIPKVZEFLXPNIGY-UHFFFAOYSA-N
XLogP4.08
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821
ethyl 4-[[2-[(2-fluorophenyl)methylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531509
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108946231
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108962409
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
ethyl 4-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111861364
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[[2-(2,6-difluoroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108522111
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate (CID 134108422) is ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)N2CCC(CN(Cc3ccccc3F)CC3CC3)CC2)CC1.
What is the InChIKey of ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is IPKVZEFLXPNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FN4O3/c1-2-34-26(33)31-15-11-23(12-16-31)28-25(32)30-13-9-21(10-14-30)18-29(17-20-7-8-20)19-22-5-3-4-6-24(22)27/h3-6,20-21,23H,2,7-19H2,1H3,(H,28,32).
What are the key properties of ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 474.62 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]methyl]piperidine-1-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 134108422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).