2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide

C20H33N3O2 — CID 95200226

IUPAC2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC[C@H]1CCN(CC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C20H33N3O2/c1-15(2)23-9-5-17(6-10-23)13-22-8-4-18(14-22)12-21-20(24)19-7-11-25-16(19)3/h7,11,15,17-18H,4-6,8-10,12-14H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyOWWVLIWDANYTQK-GOSISDBHSA-N
MW347.50 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide

2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 95200226) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide
PubChem CID95200226
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC[C@H]1CCN(CC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C20H33N3O2/c1-15(2)23-9-5-17(6-10-23)13-22-8-4-18(14-22)12-21-20(24)19-7-11-25-16(19)3/h7,11,15,17-18H,4-6,8-10,12-14H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyOWWVLIWDANYTQK-GOSISDBHSA-N
XLogP2.76
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide (CID 95200226) is 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide is Cc1occc1C(=O)NC[C@H]1CCN(CC2CCN(C(C)C)CC2)C1.
What is the InChIKey of 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is OWWVLIWDANYTQK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15(2)23-9-5-17(6-10-23)13-22-8-4-18(14-22)12-21-20(24)19-7-11-25-16(19)3/h7,11,15,17-18H,4-6,8-10,12-14H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide?
2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(3R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 95200226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).