N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

C19H28ClN3O2 — CID 19783270

IUPACN-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cc(Cl)cc(C(=O)NC3CCN(CCCN)CC3)c2O1
InChIInChI=1S/C19H28ClN3O2/c1-19(2)12-13-10-14(20)11-16(17(13)25-19)18(24)22-15-4-8-23(9-5-15)7-3-6-21/h10-11,15H,3-9,12,21H2,1-2H3,(H,22,24)
InChIKeyGNEYMKUDNXJDDU-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (PubChem CID 19783270) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
PubChem CID19783270
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cc(Cl)cc(C(=O)NC3CCN(CCCN)CC3)c2O1
InChIInChI=1S/C19H28ClN3O2/c1-19(2)12-13-10-14(20)11-16(17(13)25-19)18(24)22-15-4-8-23(9-5-15)7-3-6-21/h10-11,15H,3-9,12,21H2,1-2H3,(H,22,24)
InChIKeyGNEYMKUDNXJDDU-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 67565287
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 10404685
(Z)-but-2-enedioate;5-chloro-2,2-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
CID 20838587
6-chloro-2,2-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydrochromene-8-carboxamide
CID 19418964
5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
CID 19783274
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2,2-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-methylsulfinyl-3H-1-benzofuran-7-carboxamide
CID 19418972
2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 86878046
4-amino-5-chloro-N-[1-[3-(trideuterio(113C)methoxy)propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 121225266
4-amino-5-chloro-N-[1-[3-(trideuteriomethoxy)propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 162656583
5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
CID 47219742

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (CID 19783270) is N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is CC1(C)Cc2cc(Cl)cc(C(=O)NC3CCN(CCCN)CC3)c2O1.
What is the InChIKey of N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is GNEYMKUDNXJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-19(2)12-13-10-14(20)11-16(17(13)25-19)18(24)22-15-4-8-23(9-5-15)7-3-6-21/h10-11,15H,3-9,12,21H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 365.91 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 19783270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).