(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C24H34N4O2 — CID 96579526

IUPAC(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)o1
InChIInChI=1S/C24H34N4O2/c1-19-5-6-23(30-19)18-26(2)24(29)21-4-3-13-28(17-21)22-9-14-27(15-10-22)16-20-7-11-25-12-8-20/h5-8,11-12,21-22H,3-4,9-10,13-18H2,1-2H3/t21-/m1/s1
InChIKeyQWMCWVOJHYOFPB-OAQYLSRUSA-N
MW410.56 g/mol
LogP3.32
Rot. Bonds6

About (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96579526) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96579526
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)o1
InChIInChI=1S/C24H34N4O2/c1-19-5-6-23(30-19)18-26(2)24(29)21-4-3-13-28(17-21)22-9-14-27(15-10-22)16-20-7-11-25-12-8-20/h5-8,11-12,21-22H,3-4,9-10,13-18H2,1-2H3/t21-/m1/s1
InChIKeyQWMCWVOJHYOFPB-OAQYLSRUSA-N
XLogP3.32
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557690
N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70785258
(3S)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 96580639
(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95550513
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553474
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554585

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96579526) is (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)o1.
What is the InChIKey of (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QWMCWVOJHYOFPB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-5-6-23(30-19)18-26(2)24(29)21-4-3-13-28(17-21)22-9-14-27(15-10-22)16-20-7-11-25-12-8-20/h5-8,11-12,21-22H,3-4,9-10,13-18H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96579526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).