2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

C15H22ClN3OS — CID 46700299

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N2CCN(CC2)CC3=CC=C(S3)Cl
InChIInChI=1S/C15H22ClN3OS/c1-11(15(20)17-12-2-3-12)19-8-6-18(7-9-19)10-13-4-5-14(16)21-13/h4-5,11-12H,2-3,6-10H2,1H3,(H,17,20)
InChIKeyZEKAMMKJQPKAEW-UHFFFAOYSA-N
MW327.90 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 46700299) has the molecular formula C15H22ClN3OS and a molecular weight of 327.90 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID46700299
Molecular FormulaC15H22ClN3OS
Molecular Weight327.90 g/mol
Exact Mass327.12
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N2CCN(CC2)CC3=CC=C(S3)Cl
InChIInChI=1S/C15H22ClN3OS/c1-11(15(20)17-12-2-3-12)19-8-6-18(7-9-19)10-13-4-5-14(16)21-13/h4-5,11-12H,2-3,6-10H2,1H3,(H,17,20)
InChIKeyZEKAMMKJQPKAEW-UHFFFAOYSA-N
XLogP2.50
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity372

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45812869
N-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 45882352
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]carbamate
CID 47451773
tert-butyl N-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]carbamate
CID 47451942
3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
CID 51077583
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
CID 51077584
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 51084817
4-acetyl-N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 53503958
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 53531400
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 84593876

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 46700299) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N2CCN(CC2)CC3=CC=C(S3)Cl.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is ZEKAMMKJQPKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-11(15(20)17-12-2-3-12)19-8-6-18(7-9-19)10-13-4-5-14(16)21-13/h4-5,11-12H,2-3,6-10H2,1H3,(H,17,20).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 327.90 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 46700299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).