(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C27H31N3O3 — CID 38262955

IUPAC(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1
InChIInChI=1S/C27H31N3O3/c1-29(2)18-20-11-13-21(14-12-20)24-9-4-3-7-22(24)17-28-26(31)23-8-5-15-30(19-23)27(32)25-10-6-16-33-25/h3-4,6-7,9-14,16,23H,5,8,15,17-19H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyCQQFJTFLFVWDLK-HSZRJFAPSA-N
MW445.56 g/mol
LogP4.18
Rot. Bonds7

About (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 38262955) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID38262955
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1
InChIInChI=1S/C27H31N3O3/c1-29(2)18-20-11-13-21(14-12-20)24-9-4-3-7-22(24)17-28-26(31)23-8-5-15-30(19-23)27(32)25-10-6-16-33-25/h3-4,6-7,9-14,16,23H,5,8,15,17-19H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyCQQFJTFLFVWDLK-HSZRJFAPSA-N
XLogP4.18
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46529020
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 38262955) is (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1.
What is the InChIKey of (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is CQQFJTFLFVWDLK-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-29(2)18-20-11-13-21(14-12-20)24-9-4-3-7-22(24)17-28-26(31)23-8-5-15-30(19-23)27(32)25-10-6-16-33-25/h3-4,6-7,9-14,16,23H,5,8,15,17-19H2,1-2H3,(H,28,31)/t23-/m1/s1.
What are the key properties of (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 38262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).