4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid

C25H30N2O4 — CID 104930736

IUPAC4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
SMILESCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCNCC1C
InChIInChI=1S/C25H30N2O4/c1-3-14-27(25(23(28)29)12-13-26-15-17(25)2)24(30)31-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22,26H,3,12-16H2,1-2H3,(H,28,29)
InChIKeyOMHREXXOMJWHCX-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.10
Rot. Bonds6

About 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid

4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid (PubChem CID 104930736) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
PubChem CID104930736
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
SMILESCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCNCC1C
InChIInChI=1S/C25H30N2O4/c1-3-14-27(25(23(28)29)12-13-26-15-17(25)2)24(30)31-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22,26H,3,12-16H2,1-2H3,(H,28,29)
InChIKeyOMHREXXOMJWHCX-UHFFFAOYSA-N
XLogP4.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873175
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
CID 103875412
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
CID 103821509
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622
cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 170917274
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449447
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 104889861
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
CID 157184389

Frequently Asked Questions

What is the IUPAC name of 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid (CID 104930736) is 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid is CCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCNCC1C.
What is the InChIKey of 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid?
The InChIKey is OMHREXXOMJWHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-14-27(25(23(28)29)12-13-26-15-17(25)2)24(30)31-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22,26H,3,12-16H2,1-2H3,(H,28,29).
What are the key properties of 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid?
4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid has a molecular weight of 422.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 104930736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).