N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide

C21H28ClN3O5 — CID 55465968

IUPACN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCOCC2)CC1)Nc1cc2c(cc1Cl)OCCCO2
InChIInChI=1S/C21H28ClN3O5/c22-16-12-18-19(30-9-1-8-29-18)13-17(16)23-20(26)14-24-4-2-15(3-5-24)21(27)25-6-10-28-11-7-25/h12-13,15H,1-11,14H2,(H,23,26)
InChIKeyGRBQPNUYBLMJGZ-UHFFFAOYSA-N
MW437.92 g/mol
LogP2.01
Rot. Bonds4

About N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide (PubChem CID 55465968) has the molecular formula C21H28ClN3O5 and a molecular weight of 437.92 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
PubChem CID55465968
Molecular FormulaC21H28ClN3O5
Molecular Weight437.92 g/mol
Exact Mass437.17
IUPAC NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCOCC2)CC1)Nc1cc2c(cc1Cl)OCCCO2
InChIInChI=1S/C21H28ClN3O5/c22-16-12-18-19(30-9-1-8-29-18)13-17(16)23-20(26)14-24-4-2-15(3-5-24)21(27)25-6-10-28-11-7-25/h12-13,15H,1-11,14H2,(H,23,26)
InChIKeyGRBQPNUYBLMJGZ-UHFFFAOYSA-N
XLogP2.01
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739344
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
CID 87022066
2-[(3S)-1-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]piperidin-3-yl]acetamide
CID 95786455
N-(4-iodophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55355785
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 33020655
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 55649044
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
CID 47201238
2-[4-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24568587
N-(2,6-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetamide
CID 26043935
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30729320
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46673989
1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylic acid
CID 119907939

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide (CID 55465968) is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide is O=C(CN1CCC(C(=O)N2CCOCC2)CC1)Nc1cc2c(cc1Cl)OCCCO2.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is GRBQPNUYBLMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O5/c22-16-12-18-19(30-9-1-8-29-18)13-17(16)23-20(26)14-24-4-2-15(3-5-24)21(27)25-6-10-28-11-7-25/h12-13,15H,1-11,14H2,(H,23,26).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 437.92 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 55465968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).