2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine

C19H30N6O2 — CID 123698522

IUPAC2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
SMILESCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1N=C(N)N
InChIInChI=1S/C19H30N6O2/c1-23-9-11-24(12-10-23)15-5-7-25(8-6-15)18(26)14-3-4-16(22-19(20)21)17(13-14)27-2/h3-4,13,15H,5-12H2,1-2H3,(H4,20,21,22)
InChIKeyBJWGOINTOWSECE-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.45
Rot. Bonds4

About 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine

2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine (PubChem CID 123698522) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
PubChem CID123698522
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
SMILESCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1N=C(N)N
InChIInChI=1S/C19H30N6O2/c1-23-9-11-24(12-10-23)15-5-7-25(8-6-15)18(26)14-3-4-16(22-19(20)21)17(13-14)27-2/h3-4,13,15H,5-12H2,1-2H3,(H4,20,21,22)
InChIKeyBJWGOINTOWSECE-UHFFFAOYSA-N
XLogP0.45
TPSA100.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
CID 142742923
2-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidine-1-carbonyl]phenyl]guanidine;hydrochloride
CID 142742922
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 162670595
2-[3-(4-methylpiperazine-1-carbonyl)phenyl]guanidine;hydrochloride
CID 67444929

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine?
The IUPAC name of 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine (CID 123698522) is 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine.
What is the SMILES notation for 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine?
The canonical SMILES for 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine is COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1N=C(N)N.
What is the InChIKey of 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine?
The InChIKey is BJWGOINTOWSECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-23-9-11-24(12-10-23)15-5-7-25(8-6-15)18(26)14-3-4-16(22-19(20)21)17(13-14)27-2/h3-4,13,15H,5-12H2,1-2H3,(H4,20,21,22).
What are the key properties of 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine?
2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine has a molecular weight of 374.49 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine is sourced from PubChem (CID 123698522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).