1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

C22H33N3O3 — CID 108978792

IUPAC1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-4-12-24(13-5-2)20(26)22(10-11-22)21(27)25-16-14-23(15-17-25)18-8-6-7-9-19(18)28-3/h6-9H,4-5,10-17H2,1-3H3
InChIKeyQPKGTSZUJHEMHY-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.77
Rot. Bonds8

About 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (PubChem CID 108978792) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
PubChem CID108978792
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-4-12-24(13-5-2)20(26)22(10-11-22)21(27)25-16-14-23(15-17-25)18-8-6-7-9-19(18)28-3/h6-9H,4-5,10-17H2,1-3H3
InChIKeyQPKGTSZUJHEMHY-UHFFFAOYSA-N
XLogP2.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
CID 109123968
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N,N-bis(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108528608
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108528811

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (CID 108978792) is 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is CCCN(CCC)C(=O)C1(C(=O)N2CCN(c3ccccc3OC)CC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The InChIKey is QPKGTSZUJHEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-4-12-24(13-5-2)20(26)22(10-11-22)21(27)25-16-14-23(15-17-25)18-8-6-7-9-19(18)28-3/h6-9H,4-5,10-17H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is sourced from PubChem (CID 108978792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).