N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide

C22H35N3O2 — CID 123217543

IUPACN-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCCCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C22H35N3O2/c26-22(9-15-25-13-5-2-6-14-25)24-12-4-1-3-11-23-18-19-7-8-21-20(17-19)10-16-27-21/h7-8,17,23H,1-6,9-16,18H2,(H,24,26)
InChIKeyNWITXPPLZFQENT-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.87
Rot. Bonds11

About N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide

N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide (PubChem CID 123217543) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide
PubChem CID123217543
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCCCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C22H35N3O2/c26-22(9-15-25-13-5-2-6-14-25)24-12-4-1-3-11-23-18-19-7-8-21-20(17-19)10-16-27-21/h7-8,17,23H,1-6,9-16,18H2,(H,24,26)
InChIKeyNWITXPPLZFQENT-UHFFFAOYSA-N
XLogP2.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(2-sulfanylacetyl)amino]hexanamide
CID 58608886
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
CID 104923166
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
CID 103701656
N-butan-2-yl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanamide
CID 61022339
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
3-(azepan-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
CID 91769128

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide (CID 123217543) is N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCCCCCNCc1ccc2c(c1)CCO2.
What is the InChIKey of N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide?
The InChIKey is NWITXPPLZFQENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c26-22(9-15-25-13-5-2-6-14-25)24-12-4-1-3-11-23-18-19-7-8-21-20(17-19)10-16-27-21/h7-8,17,23H,1-6,9-16,18H2,(H,24,26).
What are the key properties of N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide?
N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide has a molecular weight of 373.54 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pentyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 123217543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).