1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide

C21H23N3O3 — CID 71881920

IUPAC1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)NC3COc4ccccc43)cc2)C1
InChIInChI=1S/C21H23N3O3/c22-20(25)15-4-3-11-24(12-15)16-9-7-14(8-10-16)21(26)23-18-13-27-19-6-2-1-5-17(18)19/h1-2,5-10,15,18H,3-4,11-13H2,(H2,22,25)(H,23,26)
InChIKeyNPIKRCUUYYRKBD-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.25
Rot. Bonds4

About 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 71881920) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID71881920
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)NC3COc4ccccc43)cc2)C1
InChIInChI=1S/C21H23N3O3/c22-20(25)15-4-3-11-24(12-15)16-9-7-14(8-10-16)21(26)23-18-13-27-19-6-2-1-5-17(18)19/h1-2,5-10,15,18H,3-4,11-13H2,(H2,22,25)(H,23,26)
InChIKeyNPIKRCUUYYRKBD-UHFFFAOYSA-N
XLogP2.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 138998650
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide
CID 122151432
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 56799433
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 71881920) is 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(C(=O)NC3COc4ccccc43)cc2)C1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is NPIKRCUUYYRKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c22-20(25)15-4-3-11-24(12-15)16-9-7-14(8-10-16)21(26)23-18-13-27-19-6-2-1-5-17(18)19/h1-2,5-10,15,18H,3-4,11-13H2,(H2,22,25)(H,23,26).
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 71881920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).