N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide

C24H29FN4O2 — CID 166207325

IUPACN-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)NCC2CCc3ccccc32)C1)Nc1cccc(F)c1
InChIInChI=1S/C24H29FN4O2/c25-20-7-3-8-21(13-20)28-23(30)26-14-17-5-4-12-29(16-17)24(31)27-15-19-11-10-18-6-1-2-9-22(18)19/h1-3,6-9,13,17,19H,4-5,10-12,14-16H2,(H,27,31)(H2,26,28,30)
InChIKeyCLWSMEYCPKWVED-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.10
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide

N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide (PubChem CID 166207325) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide
PubChem CID166207325
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)NCC2CCc3ccccc32)C1)Nc1cccc(F)c1
InChIInChI=1S/C24H29FN4O2/c25-20-7-3-8-21(13-20)28-23(30)26-14-17-5-4-12-29(16-17)24(31)27-15-19-11-10-18-6-1-2-9-22(18)19/h1-3,6-9,13,17,19H,4-5,10-12,14-16H2,(H,27,31)(H2,26,28,30)
InChIKeyCLWSMEYCPKWVED-UHFFFAOYSA-N
XLogP4.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913
1-(3-fluorophenyl)-3-[[1-(4-oxo-3-phenylphthalazine-1-carbonyl)piperidin-3-yl]methyl]urea
CID 51134759
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-[[1-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56509303
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide
CID 146088648
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-[[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120988664

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide (CID 166207325) is N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide is O=C(NCC1CCCN(C(=O)NCC2CCc3ccccc32)C1)Nc1cccc(F)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide?
The InChIKey is CLWSMEYCPKWVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c25-20-7-3-8-21(13-20)28-23(30)26-14-17-5-4-12-29(16-17)24(31)27-15-19-11-10-18-6-1-2-9-22(18)19/h1-3,6-9,13,17,19H,4-5,10-12,14-16H2,(H,27,31)(H2,26,28,30).
What are the key properties of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide?
N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166207325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).