5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid

C30H32N2O3 — CID 59178665

IUPAC5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESC[C@@H](NCC1CCN(Cc2ccc(C(=O)O)o2)CC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H32N2O3/c1-21(26-13-7-11-22-10-5-6-12-27(22)26)31-18-24-16-17-32(19-25-14-15-29(35-25)30(33)34)20-28(24)23-8-3-2-4-9-23/h2-15,21,24,28,31H,16-20H2,1H3,(H,33,34)/t21-,24?,28?/m1/s1
InChIKeyXIFRIQCYMZGULH-ILUYOPMWSA-N
MW468.60 g/mol
LogP6.09
Rot. Bonds8

About 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid

5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 59178665) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID59178665
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESC[C@@H](NCC1CCN(Cc2ccc(C(=O)O)o2)CC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H32N2O3/c1-21(26-13-7-11-22-10-5-6-12-27(22)26)31-18-24-16-17-32(19-25-14-15-29(35-25)30(33)34)20-28(24)23-8-3-2-4-9-23/h2-15,21,24,28,31H,16-20H2,1H3,(H,33,34)/t21-,24?,28?/m1/s1
InChIKeyXIFRIQCYMZGULH-ILUYOPMWSA-N
XLogP6.09
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidine-1-carbonyl]benzoic acid;hydrochloride
CID 66906017
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 68913856
3-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidine-1-carbonyl]benzoic acid
CID 59178526
4-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]benzoic acid;hydrochloride
CID 162324135
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
CID 68913855
(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 68913794
6-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidin-1-yl]hexanoic acid
CID 68912107
3,3-dimethyl-5-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]-5-oxopentanoic acid;hydrochloride
CID 66905862
5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carboxylic acid
CID 59178591
4-[(E)-3-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]-3-oxoprop-1-enyl]benzoic acid
CID 59178751
(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 59178527
5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 59178747

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid (CID 59178665) is 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid is C[C@@H](NCC1CCN(Cc2ccc(C(=O)O)o2)CC1c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is XIFRIQCYMZGULH-ILUYOPMWSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-21(26-13-7-11-22-10-5-6-12-27(22)26)31-18-24-16-17-32(19-25-14-15-29(35-25)30(33)34)20-28(24)23-8-3-2-4-9-23/h2-15,21,24,28,31H,16-20H2,1H3,(H,33,34)/t21-,24?,28?/m1/s1.
What are the key properties of 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid?
5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 468.60 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 59178665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).