N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C23H26N4O2 — CID 25112804

IUPACN-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCO3)C[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-27-11-10-17(14-20(27)22-25-18-6-2-3-7-19(18)26-22)24-23(28)16-8-9-21-15(13-16)5-4-12-29-21/h2-3,6-9,13,17,20H,4-5,10-12,14H2,1H3,(H,24,28)(H,25,26)/t17-,20-/m1/s1
InChIKeySHJPGNCXBIKYNX-YLJYHZDGSA-N
MW390.49 g/mol
LogP3.45
Rot. Bonds3

About N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 25112804) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID25112804
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCO3)C[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-27-11-10-17(14-20(27)22-25-18-6-2-3-7-19(18)26-22)24-23(28)16-8-9-21-15(13-16)5-4-12-29-21/h2-3,6-9,13,17,20H,4-5,10-12,14H2,1H3,(H,24,28)(H,25,26)/t17-,20-/m1/s1
InChIKeySHJPGNCXBIKYNX-YLJYHZDGSA-N
XLogP3.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 25112804) is N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide is CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCO3)C[C@@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is SHJPGNCXBIKYNX-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27-11-10-17(14-20(27)22-25-18-6-2-3-7-19(18)26-22)24-23(28)16-8-9-21-15(13-16)5-4-12-29-21/h2-3,6-9,13,17,20H,4-5,10-12,14H2,1H3,(H,24,28)(H,25,26)/t17-,20-/m1/s1.
What are the key properties of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 25112804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).